N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine

C76H55Cl5F5N13O4 — CID 160586157

IUPACN-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine
SMILESCc1c[nH]c2nc(F)c(CNC(=O)c3ccnc(Cc4cc(F)c5ncc(Cl)cc5c4)c3)cc12.Cc1cc2[nH]cc(Cl)c2cc1CN.O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1.O=C(O)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C25H16Cl2F2N4O.C25H18ClF2N5O.C16H10ClFN2O2.C10H11ClN2/c26-17-6-15-3-13(5-22(29)24(15)32-11-17)4-18-7-14(1-2-30-18)25(34)33-10-16-8-19-20(27)12-31-23(19)9-21(16)28;1-13-10-31-24-20(13)9-17(23(28)33-24)11-32-25(34)15-2-3-29-19(8-15)5-14-4-16-7-18(26)12-30-22(16)21(27)6-14;17-12-6-11-3-9(5-14(18)15(11)20-8-12)4-13-7-10(16(21)22)1-2-19-13;1-6-2-10-8(3-7(6)4-12)9(11)5-13-10/h1-3,5-9,11-12,31H,4,10H2,(H,33,34);2-4,6-10,12H,5,11H2,1H3,(H,31,33)(H,32,34);1-3,5-8H,4H2,(H,21,22);2-3,5,13H,4,12H2,1H3
InChIKeyRCKLGDXOSBSSLC-UHFFFAOYSA-N
MW1486.62 g/mol
LogP17.78
Rot. Bonds14

About N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine

N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine (PubChem CID 160586157) has the molecular formula C76H55Cl5F5N13O4 and a molecular weight of 1486.62 g/mol. Its IUPAC name is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine
PubChem CID160586157
Molecular FormulaC76H55Cl5F5N13O4
Molecular Weight1486.62 g/mol
Exact Mass1483.29
IUPAC NameN-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine
SMILESCc1c[nH]c2nc(F)c(CNC(=O)c3ccnc(Cc4cc(F)c5ncc(Cl)cc5c4)c3)cc12.Cc1cc2[nH]cc(Cl)c2cc1CN.O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1.O=C(O)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C25H16Cl2F2N4O.C25H18ClF2N5O.C16H10ClFN2O2.C10H11ClN2/c26-17-6-15-3-13(5-22(29)24(15)32-11-17)4-18-7-14(1-2-30-18)25(34)33-10-16-8-19-20(27)12-31-23(19)9-21(16)28;1-13-10-31-24-20(13)9-17(23(28)33-24)11-32-25(34)15-2-3-29-19(8-15)5-14-4-16-7-18(26)12-30-22(16)21(27)6-14;17-12-6-11-3-9(5-14(18)15(11)20-8-12)4-13-7-10(16(21)22)1-2-19-13;1-6-2-10-8(3-7(6)4-12)9(11)5-13-10/h1-3,5-9,11-12,31H,4,10H2,(H,33,34);2-4,6-10,12H,5,11H2,1H3,(H,31,33)(H,32,34);1-3,5-8H,4H2,(H,21,22);2-3,5,13H,4,12H2,1H3
InChIKeyRCKLGDXOSBSSLC-UHFFFAOYSA-N
XLogP17.78
TPSA259.12 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001486.62
LogP ≤ 517.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine with MolForge

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Launch Full Analysis

Related Compounds

US10023557, Example 223
CID 124182300
acetic acid;5-chloro-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-chloro-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-chloro-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;3-chloro-2-(2-fluoro-5-methyl-3-pyridinyl)-6-methyl-5-(trifluoromethyl)aniline;3-[6-chloro-3-methyl-2-nitro-4-(trifluoromethyl)phenyl]-2-fluoro-5-methylpyridine;methane;1-methylpiperidin-4-amine;sulfuric acid
CID 157923348
acetic acid;5-chloro-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-chloro-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-chloro-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;3-chloro-2-(2-fluoro-5-methyl-3-pyridinyl)-6-methyl-5-(trifluoromethyl)aniline;3-[6-chloro-3-methyl-2-nitro-4-(trifluoromethyl)phenyl]-2-fluoro-5-methylpyridine;methane;1-methylpiperidin-4-amine;sulfuric acid
CID 158105696
5-chloro-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-chloro-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-chloro-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid
CID 158234623
5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane
CID 158440791
acetic acid;5-chloro-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-chloro-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-chloro-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;3-chloro-2-(2-fluoro-5-methyl-3-pyridinyl)-6-methyl-5-(trifluoromethyl)aniline;3-[6-chloro-3-methyl-2-nitro-4-(trifluoromethyl)phenyl]-2-fluoro-5-methylpyridine;1-methylpiperidin-4-amine;sulfuric acid
CID 158562633
5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane
CID 159581838
6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;N-[[1-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 161230526
2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;2-[(3-chloroquinolin-6-yl)methyl]-N-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]pyridine-4-carboxamide;deuterio(fluoro)methane;[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 161684150
(3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
CID 157090696
bis(N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine
CID 157126740
(3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 157143690

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine?
The IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine (CID 160586157) is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine.
What is the SMILES notation for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine?
The canonical SMILES for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine is Cc1c[nH]c2nc(F)c(CNC(=O)c3ccnc(Cc4cc(F)c5ncc(Cl)cc5c4)c3)cc12.Cc1cc2[nH]cc(Cl)c2cc1CN.O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1.O=C(O)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1.
What is the InChIKey of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine?
The InChIKey is RCKLGDXOSBSSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2F2N4O.C25H18ClF2N5O.C16H10ClFN2O2.C10H11ClN2/c26-17-6-15-3-13(5-22(29)24(15)32-11-17)4-18-7-14(1-2-30-18)25(34)33-10-16-8-19-20(27)12-31-23(19)9-21(16)28;1-13-10-31-24-20(13)9-17(23(28)33-24)11-32-25(34)15-2-3-29-19(8-15)5-14-4-16-7-18(26)12-30-22(16)21(27)6-14;17-12-6-11-3-9(5-14(18)15(11)20-8-12)4-13-7-10(16(21)22)1-2-19-13;1-6-2-10-8(3-7(6)4-12)9(11)5-13-10/h1-3,5-9,11-12,31H,4,10H2,(H,33,34);2-4,6-10,12H,5,11H2,1H3,(H,31,33)(H,32,34);1-3,5-8H,4H2,(H,21,22);2-3,5,13H,4,12H2,1H3.
What are the key properties of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine?
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine has a molecular weight of 1486.62 g/mol, XLogP of 17.78, 14 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine is sourced from PubChem (CID 160586157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).