4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine

C183H202F3N31O10S — CID 160933747

IUPAC4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESCc1ccc2c(-c3ccccn3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CCC(C)C)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CCCC(C)(F)F)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CC[C@@H]3CCOC3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CC[C@H]3CCOC3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CS(=O)(=O)CC(C)(C)C)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1
InChIInChI=1S/C31H36FN5O3S.2C31H35N5O2.C30H33F2N5O.C30H28N6O.C30H35N5O/c1-20-9-10-22-23(11-12-26(32)25(22)18-41(38,39)19-31(2,3)4)28(20)40-29-24(8-6-15-34-29)27-13-16-35-30(37-27)36-21-7-5-14-33-17-21;2*1-21-9-12-25-23(11-10-22-14-18-37-20-22)5-2-7-26(25)29(21)38-30-27(8-4-16-33-30)28-13-17-34-31(36-28)35-24-6-3-15-32-19-24;1-20-12-13-23-21(8-4-15-30(2,31)32)7-3-10-24(23)27(20)38-28-25(11-6-17-34-28)26-14-18-35-29(37-26)36-22-9-5-16-33-19-22;1-20-12-13-22-23(26-11-2-3-16-32-26)8-4-9-24(22)28(20)37-29-25(10-6-17-33-29)27-14-18-34-30(36-27)35-21-7-5-15-31-19-21;1-20(2)11-13-22-7-4-9-25-24(22)14-12-21(3)28(25)36-29-26(10-6-17-32-29)27-15-18-33-30(35-27)34-23-8-5-16-31-19-23/h6,8-13,15-16,21,33H,5,7,14,17-19H2,1-4H3,(H,35,36,37);2*2,4-5,7-9,12-13,16-17,22,24,32H,3,6,10-11,14-15,18-20H2,1H3,(H,34,35,36);3,6-7,10-14,17-18,22,33H,4-5,8-9,15-16,19H2,1-2H3,(H,35,36,37);2-4,6,8-14,16-18,21,31H,5,7,15,19H2,1H3,(H,34,35,36);4,6-7,9-10,12,14-15,17-18,20,23,31H,5,8,11,13,16,19H2,1-3H3,(H,33,34,35)/t21-;22-,24+;22-,24-;22-;21-;23-/m010000/s1
InChIKeySTPJHTNWMFVKIF-SQYYEYPFSA-N
MW3084.90 g/mol
LogP37.41
Rot. Bonds47

About 4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine

4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (PubChem CID 160933747) has the molecular formula C183H202F3N31O10S and a molecular weight of 3084.90 g/mol. Its IUPAC name is 4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
PubChem CID160933747
Molecular FormulaC183H202F3N31O10S
Molecular Weight3084.90 g/mol
Exact Mass3082.59
IUPAC Name4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESCc1ccc2c(-c3ccccn3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CCC(C)C)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CCCC(C)(F)F)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CC[C@@H]3CCOC3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CC[C@H]3CCOC3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CS(=O)(=O)CC(C)(C)C)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1
InChIInChI=1S/C31H36FN5O3S.2C31H35N5O2.C30H33F2N5O.C30H28N6O.C30H35N5O/c1-20-9-10-22-23(11-12-26(32)25(22)18-41(38,39)19-31(2,3)4)28(20)40-29-24(8-6-15-34-29)27-13-16-35-30(37-27)36-21-7-5-14-33-17-21;2*1-21-9-12-25-23(11-10-22-14-18-37-20-22)5-2-7-26(25)29(21)38-30-27(8-4-16-33-30)28-13-17-34-31(36-28)35-24-6-3-15-32-19-24;1-20-12-13-23-21(8-4-15-30(2,31)32)7-3-10-24(23)27(20)38-28-25(11-6-17-34-28)26-14-18-35-29(37-26)36-22-9-5-16-33-19-22;1-20-12-13-22-23(26-11-2-3-16-32-26)8-4-9-24(22)28(20)37-29-25(10-6-17-33-29)27-14-18-34-30(36-27)35-21-7-5-15-31-19-21;1-20(2)11-13-22-7-4-9-25-24(22)14-12-21(3)28(25)36-29-26(10-6-17-32-29)27-15-18-33-30(35-27)34-23-8-5-16-31-19-23/h6,8-13,15-16,21,33H,5,7,14,17-19H2,1-4H3,(H,35,36,37);2*2,4-5,7-9,12-13,16-17,22,24,32H,3,6,10-11,14-15,18-20H2,1H3,(H,34,35,36);3,6-7,10-14,17-18,22,33H,4-5,8-9,15-16,19H2,1-2H3,(H,35,36,37);2-4,6,8-14,16-18,21,31H,5,7,15,19H2,1H3,(H,34,35,36);4,6-7,9-10,12,14-15,17-18,20,23,31H,5,8,11,13,16,19H2,1-3H3,(H,33,34,35)/t21-;22-,24+;22-,24-;22-;21-;23-/m010000/s1
InChIKeySTPJHTNWMFVKIF-SQYYEYPFSA-N
XLogP37.41
TPSA497.25 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds47
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003084.90
LogP ≤ 537.41
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

Analyze 4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3,3,3-trifluoro-N-[6-methyl-5-[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]propane-1-sulfonamide
CID 135327057
N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide
CID 135327150
N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide
CID 135327224
N-[3-methyl-4-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide
CID 135327877
N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide
CID 135327903
N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentanesulfonamide
CID 135327959
N-[2,6-dimethyl-5-[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]-3,3,3-trifluoropropane-1-sulfonamide
CID 135328370
3,3,3-trifluoro-N-[2-fluoro-6-methyl-5-[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]propane-1-sulfonamide
CID 135328834
1-cyclohexyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]methanesulfonamide
CID 177375729
2,2,2-trifluoro-N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide
CID 155925857
16-[(Amino-methyl-oxo-lambda6-sulfanylidene)methyl]-4-[[4-[(5,22-difluoro-8,12-dioxa-18,20,24-triazatetracyclo[17.3.1.113,17.02,7]tetracosa-1(23),2(7),3,5,13,15,17(24),19,21-nonaen-15-yl)methylsulfinylmethyl]-5,22-difluoro-8,12-dioxa-18,20,24-triazatetracyclo[17.3.1.113,17.02,7]tetracosa-1(23),2(7),3,5,13,15,17(24),19,21-nonaen-15-yl]methylsulfanylmethyl]-5,23-difluoro-8,13-dioxa-19,21,24-triazatetracyclo[18.3.1.114,18.02,7]pentacosa-1(24),2(7),3,5,14,16,18(25),20,22-nonaene
CID 123875052
3,3-difluoro-N-[2-fluoro-5-[3-[2-[[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-6-methylnaphthalen-1-yl]butane-1-sulfonamide
CID 135326594

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (CID 160933747) is 4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is Cc1ccc2c(-c3ccccn3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CCC(C)C)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CCCC(C)(F)F)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CC[C@@H]3CCOC3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CC[C@H]3CCOC3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.Cc1ccc2c(CS(=O)(=O)CC(C)(C)C)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.
What is the InChIKey of 4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is STPJHTNWMFVKIF-SQYYEYPFSA-N. The full InChI is InChI=1S/C31H36FN5O3S.2C31H35N5O2.C30H33F2N5O.C30H28N6O.C30H35N5O/c1-20-9-10-22-23(11-12-26(32)25(22)18-41(38,39)19-31(2,3)4)28(20)40-29-24(8-6-15-34-29)27-13-16-35-30(37-27)36-21-7-5-14-33-17-21;2*1-21-9-12-25-23(11-10-22-14-18-37-20-22)5-2-7-26(25)29(21)38-30-27(8-4-16-33-30)28-13-17-34-31(36-28)35-24-6-3-15-32-19-24;1-20-12-13-23-21(8-4-15-30(2,31)32)7-3-10-24(23)27(20)38-28-25(11-6-17-34-28)26-14-18-35-29(37-26)36-22-9-5-16-33-19-22;1-20-12-13-22-23(26-11-2-3-16-32-26)8-4-9-24(22)28(20)37-29-25(10-6-17-33-29)27-14-18-34-30(36-27)35-21-7-5-15-31-19-21;1-20(2)11-13-22-7-4-9-25-24(22)14-12-21(3)28(25)36-29-26(10-6-17-32-29)27-15-18-33-30(35-27)34-23-8-5-16-31-19-23/h6,8-13,15-16,21,33H,5,7,14,17-19H2,1-4H3,(H,35,36,37);2*2,4-5,7-9,12-13,16-17,22,24,32H,3,6,10-11,14-15,18-20H2,1H3,(H,34,35,36);3,6-7,10-14,17-18,22,33H,4-5,8-9,15-16,19H2,1-2H3,(H,35,36,37);2-4,6,8-14,16-18,21,31H,5,7,15,19H2,1H3,(H,34,35,36);4,6-7,9-10,12,14-15,17-18,20,23,31H,5,8,11,13,16,19H2,1-3H3,(H,33,34,35)/t21-;22-,24+;22-,24-;22-;21-;23-/m010000/s1.
What are the key properties of 4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 3084.90 g/mol, XLogP of 37.41, 47 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(4,4-difluoropentyl)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[5-(2,2-dimethylpropylsulfonylmethyl)-6-fluoro-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-(3-methylbutyl)naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3R)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-[2-methyl-5-[2-[(3S)-oxolan-3-yl]ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;4-[2-(2-methyl-5-pyridin-2-ylnaphthalen-1-yl)oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 160933747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).