5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene

C146H169ClFN33O11S — CID 158945791

IUPAC5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene
SMILESC.C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1.CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)cc21.Cc1cc(Cc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.N#CCCC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1ccc(-c2cncc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C1CCCC1
InChIInChI=1S/C28H37N5O3S.C28H32N4O3.C26H29N5O2.C24H29N7O.C24H23N5O2.C15H15ClFN7.CH4/c1-21-19-29-27(31-22-10-12-24(13-11-22)36-17-16-33-14-5-6-15-33)32-26(21)30-23-8-7-9-25(18-23)37(34,35)20-28(2,3)4;1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26;32-26(20-3-1-2-4-20)29-22-7-5-19(6-8-22)24-17-27-18-25(30-24)28-21-9-11-23(12-10-21)31-13-15-33-16-14-31;1-5-30-19-12-18(26-21-10-14(2)29(4)27-21)22-23(28(3)13-25-22)17(19)11-20(30)24(32)31(15-6-7-15)16-8-9-16;25-12-1-2-23(30)19-5-3-18(4-6-19)22-11-13-26-24(28-22)27-20-7-9-21(10-8-20)29-14-16-31-17-15-29;1-8-3-11(24-23-8)4-13-12(16)7-20-15(22-13)21-9(2)14-18-5-10(17)6-19-14;/h7-13,18-19H,5-6,14-17,20H2,1-4H3,(H2,29,30,31,32);3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31);5-12,17-18,20H,1-4,13-16H2,(H,28,30)(H,29,32);10-13,15-16H,5-9H2,1-4H3,(H,26,27);3-11,13H,1-2,14-17H2,(H,26,27,28);3,5-7,9H,4H2,1-2H3,(H,23,24)(H,20,21,22);1H4/b;4-3+;;;;;/t;;;;;9-;/m.....0./s1
InChIKeyJKUPBHRUDNUSQK-KTSNFQLBSA-N
MW2648.70 g/mol
LogP27.19
Rot. Bonds38

About 5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene

5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene (PubChem CID 158945791) has the molecular formula C146H169ClFN33O11S and a molecular weight of 2648.70 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene
PubChem CID158945791
Molecular FormulaC146H169ClFN33O11S
Molecular Weight2648.70 g/mol
Exact Mass2646.31
IUPAC Name5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene
SMILESC.C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1.CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)cc21.Cc1cc(Cc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.N#CCCC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1ccc(-c2cncc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C1CCCC1
InChIInChI=1S/C28H37N5O3S.C28H32N4O3.C26H29N5O2.C24H29N7O.C24H23N5O2.C15H15ClFN7.CH4/c1-21-19-29-27(31-22-10-12-24(13-11-22)36-17-16-33-14-5-6-15-33)32-26(21)30-23-8-7-9-25(18-23)37(34,35)20-28(2,3)4;1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26;32-26(20-3-1-2-4-20)29-22-7-5-19(6-8-22)24-17-27-18-25(30-24)28-21-9-11-23(12-10-21)31-13-15-33-16-14-31;1-5-30-19-12-18(26-21-10-14(2)29(4)27-21)22-23(28(3)13-25-22)17(19)11-20(30)24(32)31(15-6-7-15)16-8-9-16;25-12-1-2-23(30)19-5-3-18(4-6-19)22-11-13-26-24(28-22)27-20-7-9-21(10-8-20)29-14-16-31-17-15-29;1-8-3-11(24-23-8)4-13-12(16)7-20-15(22-13)21-9(2)14-18-5-10(17)6-19-14;/h7-13,18-19H,5-6,14-17,20H2,1-4H3,(H2,29,30,31,32);3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31);5-12,17-18,20H,1-4,13-16H2,(H,28,30)(H,29,32);10-13,15-16H,5-9H2,1-4H3,(H,26,27);3-11,13H,1-2,14-17H2,(H,26,27,28);3,5-7,9H,4H2,1-2H3,(H,23,24)(H,20,21,22);1H4/b;4-3+;;;;;/t;;;;;9-;/m.....0./s1
InChIKeyJKUPBHRUDNUSQK-KTSNFQLBSA-N
XLogP27.19
TPSA500.89 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds38
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002648.70
LogP ≤ 527.19
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene?
The IUPAC name of 5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene (CID 158945791) is 5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene.
What is the SMILES notation for 5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene?
The canonical SMILES for 5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene is C.C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1.CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)cc21.Cc1cc(Cc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.N#CCCC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1ccc(-c2cncc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C1CCCC1.
What is the InChIKey of 5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene?
The InChIKey is JKUPBHRUDNUSQK-KTSNFQLBSA-N. The full InChI is InChI=1S/C28H37N5O3S.C28H32N4O3.C26H29N5O2.C24H29N7O.C24H23N5O2.C15H15ClFN7.CH4/c1-21-19-29-27(31-22-10-12-24(13-11-22)36-17-16-33-14-5-6-15-33)32-26(21)30-23-8-7-9-25(18-23)37(34,35)20-28(2,3)4;1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26;32-26(20-3-1-2-4-20)29-22-7-5-19(6-8-22)24-17-27-18-25(30-24)28-21-9-11-23(12-10-21)31-13-15-33-16-14-31;1-5-30-19-12-18(26-21-10-14(2)29(4)27-21)22-23(28(3)13-25-22)17(19)11-20(30)24(32)31(15-6-7-15)16-8-9-16;25-12-1-2-23(30)19-5-3-18(4-6-19)22-11-13-26-24(28-22)27-20-7-9-21(10-8-20)29-14-16-31-17-15-29;1-8-3-11(24-23-8)4-13-12(16)7-20-15(22-13)21-9(2)14-18-5-10(17)6-19-14;/h7-13,18-19H,5-6,14-17,20H2,1-4H3,(H2,29,30,31,32);3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31);5-12,17-18,20H,1-4,13-16H2,(H,28,30)(H,29,32);10-13,15-16H,5-9H2,1-4H3,(H,26,27);3-11,13H,1-2,14-17H2,(H,26,27,28);3,5-7,9H,4H2,1-2H3,(H,23,24)(H,20,21,22);1H4/b;4-3+;;;;;/t;;;;;9-;/m.....0./s1.
What are the key properties of 5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene?
5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene has a molecular weight of 2648.70 g/mol, XLogP of 27.19, 38 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-amine;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane;N-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]cyclopentanecarboxamide;4-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene is sourced from PubChem (CID 158945791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).