6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide

C24H21ClN8O2 — CID 134178607

IUPAC6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)nc1C#N
InChIInChI=1S/C24H21ClN8O2/c1-12-3-21(27)31-13(2)18(12)9-30-24(35)19-11-33(32-20(19)7-26)10-14-4-15-6-16(25)8-29-22(15)17(5-14)23(28)34/h3-6,8,11H,9-10H2,1-2H3,(H2,27,31)(H2,28,34)(H,30,35)
InChIKeyLXGUFOWDTCMHRM-UHFFFAOYSA-N
MW488.94 g/mol
LogP2.63
Rot. Bonds6

About 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide

6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide (PubChem CID 134178607) has the molecular formula C24H21ClN8O2 and a molecular weight of 488.94 g/mol. Its IUPAC name is 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide.

Molecular Properties

Compound Name6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide
PubChem CID134178607
Molecular FormulaC24H21ClN8O2
Molecular Weight488.94 g/mol
Exact Mass488.15
IUPAC Name6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)nc1C#N
InChIInChI=1S/C24H21ClN8O2/c1-12-3-21(27)31-13(2)18(12)9-30-24(35)19-11-33(32-20(19)7-26)10-14-4-15-6-16(25)8-29-22(15)17(5-14)23(28)34/h3-6,8,11H,9-10H2,1-2H3,(H2,27,31)(H2,28,34)(H,30,35)
InChIKeyLXGUFOWDTCMHRM-UHFFFAOYSA-N
XLogP2.63
TPSA165.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.94
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide with MolForge

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Related Compounds

sodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide;(3-chloro-8-iodoquinolin-6-yl)methanol;(3-chloro-8-methylsulfonylquinolin-6-yl)methanol;methanesulfinate
CID 159853988
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
CID 134178248
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(E)-3-(5-chloro-2-ethynyl-3-pyridinyl)-2-methylprop-2-enyl]-3-cyanopyrazole-4-carboxamide
CID 138658735
4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide
CID 138658473
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;ethane
CID 145441055
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
CID 159466945
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane
CID 159099009
bis(N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide);6-(aminomethyl)isoquinolin-1-amine;1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylic acid;hydrochloride
CID 162055214
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide
CID 118665190
lithium;alumane;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;hydride;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate
CID 159033488
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(1-hydroxyethyl)pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-(1-hydroxyethyl)pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
CID 157302655
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride
CID 160902487

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide?
The IUPAC name of 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide (CID 134178607) is 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide.
What is the SMILES notation for 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide?
The canonical SMILES for 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)nc1C#N.
What is the InChIKey of 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide?
The InChIKey is LXGUFOWDTCMHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN8O2/c1-12-3-21(27)31-13(2)18(12)9-30-24(35)19-11-33(32-20(19)7-26)10-14-4-15-6-16(25)8-29-22(15)17(5-14)23(28)34/h3-6,8,11H,9-10H2,1-2H3,(H2,27,31)(H2,28,34)(H,30,35).
What are the key properties of 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide?
6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide has a molecular weight of 488.94 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide is sourced from PubChem (CID 134178607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).