5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane

C173H189F11N72O3 — CID 161472883

IUPAC5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane
SMILESC.C.C.COc1ccc(-n2nnnc2-c2cc(-c3cnn([C@@H]4CCCNC4)c3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cnn([C@@H]4CCNC4)c3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cnn([C@H]4CCNC4)c3)cnc2N)c(F)c1F.Cc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCCNCC4)c3)cnc2N)c(F)c1C.Cc1ccc(-n2nnnc2-c2cc(-c3cnn([C@@H]4CCCNC4)c3)cnc2N)c(F)c1C.Cc1ccc(-n2nnnc2-c2cc(-c3cnn([C@@H]4CCNC4)c3)cnc2N)c(F)c1C.Cc1ccc(-n2nnnc2-c2cc(-c3cnn([C@H]4CCCNC4)c3)cnc2N)c(F)c1C.Cc1ccc(-n2nnnc2-c2cc(-c3cnn([C@H]4CCNC4)c3)cnc2N)c(F)c1C
InChIInChI=1S/C23H26FN9.2C22H24FN9.C21H21F2N9O.2C21H22FN9.2C20H19F2N9O.3CH4/c1-14-5-6-20(21(24)15(14)2)33-23(29-30-31-33)19-10-16(11-27-22(19)25)17-12-28-32(13-17)18-4-3-8-26-9-7-18;2*1-13-5-6-19(20(23)14(13)2)32-22(28-29-30-32)18-8-15(9-26-21(18)24)16-10-27-31(12-16)17-4-3-7-25-11-17;1-33-17-5-4-16(18(22)19(17)23)32-21(28-29-30-32)15-7-12(8-26-20(15)24)13-9-27-31(11-13)14-3-2-6-25-10-14;2*1-12-3-4-18(19(22)13(12)2)31-21(27-28-29-31)17-7-14(8-25-20(17)23)15-9-26-30(11-15)16-5-6-24-10-16;2*1-32-16-3-2-15(17(21)18(16)22)31-20(27-28-29-31)14-6-11(7-25-19(14)23)12-8-26-30(10-12)13-4-5-24-9-13;;;/h5-6,10-13,18,26H,3-4,7-9H2,1-2H3,(H2,25,27);2*5-6,8-10,12,17,25H,3-4,7,11H2,1-2H3,(H2,24,26);4-5,7-9,11,14,25H,2-3,6,10H2,1H3,(H2,24,26);2*3-4,7-9,11,16,24H,5-6,10H2,1-2H3,(H2,23,25);2*2-3,6-8,10,13,24H,4-5,9H2,1H3,(H2,23,25);3*1H4/t;2*17-;14-;2*16-;2*13-;;;/m.1011010.../s1
InChIKeyWDHZFIQIQXUZIJ-UWLXUFNESA-N
MW3533.89 g/mol
LogP22.13
Rot. Bonds35

About 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane

5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane (PubChem CID 161472883) has the molecular formula C173H189F11N72O3 and a molecular weight of 3533.89 g/mol. Its IUPAC name is 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane.

Molecular Properties

Compound Name5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane
PubChem CID161472883
Molecular FormulaC173H189F11N72O3
Molecular Weight3533.89 g/mol
Exact Mass3531.67
IUPAC Name5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane
SMILESC.C.C.COc1ccc(-n2nnnc2-c2cc(-c3cnn([C@@H]4CCCNC4)c3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cnn([C@@H]4CCNC4)c3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cnn([C@H]4CCNC4)c3)cnc2N)c(F)c1F.Cc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCCNCC4)c3)cnc2N)c(F)c1C.Cc1ccc(-n2nnnc2-c2cc(-c3cnn([C@@H]4CCCNC4)c3)cnc2N)c(F)c1C.Cc1ccc(-n2nnnc2-c2cc(-c3cnn([C@@H]4CCNC4)c3)cnc2N)c(F)c1C.Cc1ccc(-n2nnnc2-c2cc(-c3cnn([C@H]4CCCNC4)c3)cnc2N)c(F)c1C.Cc1ccc(-n2nnnc2-c2cc(-c3cnn([C@H]4CCNC4)c3)cnc2N)c(F)c1C
InChIInChI=1S/C23H26FN9.2C22H24FN9.C21H21F2N9O.2C21H22FN9.2C20H19F2N9O.3CH4/c1-14-5-6-20(21(24)15(14)2)33-23(29-30-31-33)19-10-16(11-27-22(19)25)17-12-28-32(13-17)18-4-3-8-26-9-7-18;2*1-13-5-6-19(20(23)14(13)2)32-22(28-29-30-32)18-8-15(9-26-21(18)24)16-10-27-31(12-16)17-4-3-7-25-11-17;1-33-17-5-4-16(18(22)19(17)23)32-21(28-29-30-32)15-7-12(8-26-20(15)24)13-9-27-31(11-13)14-3-2-6-25-10-14;2*1-12-3-4-18(19(22)13(12)2)31-21(27-28-29-31)17-7-14(8-25-20(17)23)15-9-26-30(11-15)16-5-6-24-10-16;2*1-32-16-3-2-15(17(21)18(16)22)31-20(27-28-29-31)14-6-11(7-25-19(14)23)12-8-26-30(10-12)13-4-5-24-9-13;;;/h5-6,10-13,18,26H,3-4,7-9H2,1-2H3,(H2,25,27);2*5-6,8-10,12,17,25H,3-4,7,11H2,1-2H3,(H2,24,26);4-5,7-9,11,14,25H,2-3,6,10H2,1H3,(H2,24,26);2*3-4,7-9,11,16,24H,5-6,10H2,1-2H3,(H2,23,25);2*2-3,6-8,10,13,24H,4-5,9H2,1H3,(H2,23,25);3*1H4/t;2*17-;14-;2*16-;2*13-;;;/m.1011010.../s1
InChIKeyWDHZFIQIQXUZIJ-UWLXUFNESA-N
XLogP22.13
TPSA926.57 Ų
H-Bond Donors16
H-Bond Acceptors75
Rotatable Bonds35
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003533.89
LogP ≤ 522.13
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1075

Analyze 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane?
The IUPAC name of 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane (CID 161472883) is 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane.
What is the SMILES notation for 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane?
The canonical SMILES for 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane is C.C.C.COc1ccc(-n2nnnc2-c2cc(-c3cnn([C@@H]4CCCNC4)c3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cnn([C@@H]4CCNC4)c3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cnn([C@H]4CCNC4)c3)cnc2N)c(F)c1F.Cc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCCNCC4)c3)cnc2N)c(F)c1C.Cc1ccc(-n2nnnc2-c2cc(-c3cnn([C@@H]4CCCNC4)c3)cnc2N)c(F)c1C.Cc1ccc(-n2nnnc2-c2cc(-c3cnn([C@@H]4CCNC4)c3)cnc2N)c(F)c1C.Cc1ccc(-n2nnnc2-c2cc(-c3cnn([C@H]4CCCNC4)c3)cnc2N)c(F)c1C.Cc1ccc(-n2nnnc2-c2cc(-c3cnn([C@H]4CCNC4)c3)cnc2N)c(F)c1C.
What is the InChIKey of 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane?
The InChIKey is WDHZFIQIQXUZIJ-UWLXUFNESA-N. The full InChI is InChI=1S/C23H26FN9.2C22H24FN9.C21H21F2N9O.2C21H22FN9.2C20H19F2N9O.3CH4/c1-14-5-6-20(21(24)15(14)2)33-23(29-30-31-33)19-10-16(11-27-22(19)25)17-12-28-32(13-17)18-4-3-8-26-9-7-18;2*1-13-5-6-19(20(23)14(13)2)32-22(28-29-30-32)18-8-15(9-26-21(18)24)16-10-27-31(12-16)17-4-3-7-25-11-17;1-33-17-5-4-16(18(22)19(17)23)32-21(28-29-30-32)15-7-12(8-26-20(15)24)13-9-27-31(11-13)14-3-2-6-25-10-14;2*1-12-3-4-18(19(22)13(12)2)31-21(27-28-29-31)17-7-14(8-25-20(17)23)15-9-26-30(11-15)16-5-6-24-10-16;2*1-32-16-3-2-15(17(21)18(16)22)31-20(27-28-29-31)14-6-11(7-25-19(14)23)12-8-26-30(10-12)13-4-5-24-9-13;;;/h5-6,10-13,18,26H,3-4,7-9H2,1-2H3,(H2,25,27);2*5-6,8-10,12,17,25H,3-4,7,11H2,1-2H3,(H2,24,26);4-5,7-9,11,14,25H,2-3,6,10H2,1H3,(H2,24,26);2*3-4,7-9,11,16,24H,5-6,10H2,1-2H3,(H2,23,25);2*2-3,6-8,10,13,24H,4-5,9H2,1H3,(H2,23,25);3*1H4/t;2*17-;14-;2*16-;2*13-;;;/m.1011010.../s1.
What are the key properties of 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane?
5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane has a molecular weight of 3533.89 g/mol, XLogP of 22.13, 35 rotatable bonds, 16 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine;methane is sourced from PubChem (CID 161472883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).