N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one

C114H112Cl2F4N22O18S5 — CID 161359706

IUPACN-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3cccc(F)c3)c2)ccn1.CC(=O)Cc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)ccn1.CC(=O)Cc1cc(-c2cnc3c(c2)C(S(=O)(=O)N2CCCC2)=CC3)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CC[C@@H](F)C3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N3CCCCC3)c2)ccn1.COc1cc(F)c(S(=O)(=O)Nc2cc(-c3ccnc(CC(C)=O)c3)cnc2C)cc1F
InChIInChI=1S/C21H19F2N3O4S.C20H18FN3O3S.C20H21N3O3S.C19H15Cl2N3O3S.C17H18FN5O2.C17H21N5O3S/c1-12(27)6-16-7-14(4-5-24-16)15-8-19(13(2)25-11-15)26-31(28,29)21-10-17(22)20(30-3)9-18(21)23;1-13(25)8-18-9-15(6-7-22-18)16-10-20(14(2)23-12-16)24-28(26,27)19-5-3-4-17(21)11-19;1-14(24)10-17-11-15(6-7-21-17)16-12-18-19(22-13-16)4-5-20(18)27(25,26)23-8-2-3-9-23;1-12(25)8-16-9-13(6-7-22-16)14-10-18(19(21)23-11-14)24-28(26,27)17-4-2-15(20)3-5-17;1-10(24)22-15-7-11(2-4-20-15)12-6-14(16(19)21-8-12)17(25)23-5-3-13(18)9-23;1-12(23)21-16-10-13(5-6-19-16)14-9-15(17(18)20-11-14)26(24,25)22-7-3-2-4-8-22/h4-5,7-11,26H,6H2,1-3H3;3-7,9-12,24H,8H2,1-2H3;5-7,11-13H,2-4,8-10H2,1H3;2-7,9-11,24H,8H2,1H3;2,4,6-8,13H,3,5,9H2,1H3,(H2,19,21)(H,20,22,24);5-6,9-11H,2-4,7-8H2,1H3,(H2,18,20)(H,19,21,23)/t;;;;13-;/m....1./s1
InChIKeyVOZZNTWSHYPGKV-LUDFDKOQSA-N
MW2385.52 g/mol
LogP17.90
Rot. Bonds31

About N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one

N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one (PubChem CID 161359706) has the molecular formula C114H112Cl2F4N22O18S5 and a molecular weight of 2385.52 g/mol. Its IUPAC name is N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one.

Molecular Properties

Compound NameN-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one
PubChem CID161359706
Molecular FormulaC114H112Cl2F4N22O18S5
Molecular Weight2385.52 g/mol
Exact Mass2382.64
IUPAC NameN-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3cccc(F)c3)c2)ccn1.CC(=O)Cc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)ccn1.CC(=O)Cc1cc(-c2cnc3c(c2)C(S(=O)(=O)N2CCCC2)=CC3)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CC[C@@H](F)C3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N3CCCCC3)c2)ccn1.COc1cc(F)c(S(=O)(=O)Nc2cc(-c3ccnc(CC(C)=O)c3)cnc2C)cc1F
InChIInChI=1S/C21H19F2N3O4S.C20H18FN3O3S.C20H21N3O3S.C19H15Cl2N3O3S.C17H18FN5O2.C17H21N5O3S/c1-12(27)6-16-7-14(4-5-24-16)15-8-19(13(2)25-11-15)26-31(28,29)21-10-17(22)20(30-3)9-18(21)23;1-13(25)8-18-9-15(6-7-22-18)16-10-20(14(2)23-12-16)24-28(26,27)19-5-3-4-17(21)11-19;1-14(24)10-17-11-15(6-7-21-17)16-12-18-19(22-13-16)4-5-20(18)27(25,26)23-8-2-3-9-23;1-12(25)8-16-9-13(6-7-22-16)14-10-18(19(21)23-11-14)24-28(26,27)17-4-2-15(20)3-5-17;1-10(24)22-15-7-11(2-4-20-15)12-6-14(16(19)21-8-12)17(25)23-5-3-13(18)9-23;1-12(23)21-16-10-13(5-6-19-16)14-9-15(17(18)20-11-14)26(24,25)22-7-3-2-4-8-22/h4-5,7-11,26H,6H2,1-3H3;3-7,9-12,24H,8H2,1-2H3;5-7,11-13H,2-4,8-10H2,1H3;2-7,9-11,24H,8H2,1H3;2,4,6-8,13H,3,5,9H2,1H3,(H2,19,21)(H,20,22,24);5-6,9-11H,2-4,7-8H2,1H3,(H2,18,20)(H,19,21,23)/t;;;;13-;/m....1./s1
InChIKeyVOZZNTWSHYPGKV-LUDFDKOQSA-N
XLogP17.90
TPSA576.01 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002385.52
LogP ≤ 517.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one?
The IUPAC name of N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one (CID 161359706) is N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one.
What is the SMILES notation for N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one?
The canonical SMILES for N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3cccc(F)c3)c2)ccn1.CC(=O)Cc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)ccn1.CC(=O)Cc1cc(-c2cnc3c(c2)C(S(=O)(=O)N2CCCC2)=CC3)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CC[C@@H](F)C3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N3CCCCC3)c2)ccn1.COc1cc(F)c(S(=O)(=O)Nc2cc(-c3ccnc(CC(C)=O)c3)cnc2C)cc1F.
What is the InChIKey of N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one?
The InChIKey is VOZZNTWSHYPGKV-LUDFDKOQSA-N. The full InChI is InChI=1S/C21H19F2N3O4S.C20H18FN3O3S.C20H21N3O3S.C19H15Cl2N3O3S.C17H18FN5O2.C17H21N5O3S/c1-12(27)6-16-7-14(4-5-24-16)15-8-19(13(2)25-11-15)26-31(28,29)21-10-17(22)20(30-3)9-18(21)23;1-13(25)8-18-9-15(6-7-22-18)16-10-20(14(2)23-12-16)24-28(26,27)19-5-3-4-17(21)11-19;1-14(24)10-17-11-15(6-7-21-17)16-12-18-19(22-13-16)4-5-20(18)27(25,26)23-8-2-3-9-23;1-12(25)8-16-9-13(6-7-22-16)14-10-18(19(21)23-11-14)24-28(26,27)17-4-2-15(20)3-5-17;1-10(24)22-15-7-11(2-4-20-15)12-6-14(16(19)21-8-12)17(25)23-5-3-13(18)9-23;1-12(23)21-16-10-13(5-6-19-16)14-9-15(17(18)20-11-14)26(24,25)22-7-3-2-4-8-22/h4-5,7-11,26H,6H2,1-3H3;3-7,9-12,24H,8H2,1-2H3;5-7,11-13H,2-4,8-10H2,1H3;2-7,9-11,24H,8H2,1H3;2,4,6-8,13H,3,5,9H2,1H3,(H2,19,21)(H,20,22,24);5-6,9-11H,2-4,7-8H2,1H3,(H2,18,20)(H,19,21,23)/t;;;;13-;/m....1./s1.
What are the key properties of N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one?
N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one has a molecular weight of 2385.52 g/mol, XLogP of 17.90, 31 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-piperidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;4-chloro-N-[2-chloro-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2,5-difluoro-4-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;3-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one is sourced from PubChem (CID 161359706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).