N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid

C44H35Cl2N9O3 — CID 157481211

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccc3ncc(Cl)cc3c2)n2ccccc12.O=C(O)c1nc(Cc2ccc3ncc(Cl)cc3c2)n2ccccc12
InChIInChI=1S/C26H23ClN6O.C18H12ClN3O2/c1-15-9-23(28)31-16(2)20(15)14-30-26(34)25-22-5-3-4-8-33(22)24(32-25)11-17-6-7-21-18(10-17)12-19(27)13-29-21;19-13-9-12-7-11(4-5-14(12)20-10-13)8-16-21-17(18(23)24)15-3-1-2-6-22(15)16/h3-10,12-13H,11,14H2,1-2H3,(H2,28,31)(H,30,34);1-7,9-10H,8H2,(H,23,24)
InChIKeyBWEHSMDYRNYCEB-UHFFFAOYSA-N
MW808.73 g/mol
LogP8.48
Rot. Bonds8

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 157481211) has the molecular formula C44H35Cl2N9O3 and a molecular weight of 808.73 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID157481211
Molecular FormulaC44H35Cl2N9O3
Molecular Weight808.73 g/mol
Exact Mass807.22
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccc3ncc(Cl)cc3c2)n2ccccc12.O=C(O)c1nc(Cc2ccc3ncc(Cl)cc3c2)n2ccccc12
InChIInChI=1S/C26H23ClN6O.C18H12ClN3O2/c1-15-9-23(28)31-16(2)20(15)14-30-26(34)25-22-5-3-4-8-33(22)24(32-25)11-17-6-7-21-18(10-17)12-19(27)13-29-21;19-13-9-12-7-11(4-5-14(12)20-10-13)8-16-21-17(18(23)24)15-3-1-2-6-22(15)16/h3-10,12-13H,11,14H2,1-2H3,(H2,28,31)(H,30,34);1-7,9-10H,8H2,(H,23,24)
InChIKeyBWEHSMDYRNYCEB-UHFFFAOYSA-N
XLogP8.48
TPSA165.69 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.73
LogP ≤ 58.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid with MolForge

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Related Compounds

(7S)-7-[[3-chloro-5-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]-2-methyl-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole-10-carboxylic acid
CID 122194034
6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
CID 169154513
6-chloro-3-[[(1R)-1-(5-ethyl-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
CID 169155217
6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
CID 169155292
US10301284, Example 9
CID 134178190
1-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)-6-fluoro-5-methylindole-2-carboxylic acid
CID 42610866
6-[1-[[3-Chloro-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]-5-fluoropyridine-2-carboxylic acid
CID 126532002
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
2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide
CID 167666153
6-chloro-3-[[(1R)-1-[5-(4,4-difluoropiperidin-1-yl)-9-methylimidazo[1,5-c]quinazolin-7-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 169154555
6-chloro-3-[[(1R)-1-[5-(4,4-difluoropiperidin-1-yl)-9-methyl-2-(trifluoromethyl)imidazo[1,2-c]quinazolin-7-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 172258838

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid (CID 157481211) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid is Cc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccc3ncc(Cl)cc3c2)n2ccccc12.O=C(O)c1nc(Cc2ccc3ncc(Cl)cc3c2)n2ccccc12.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is BWEHSMDYRNYCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O.C18H12ClN3O2/c1-15-9-23(28)31-16(2)20(15)14-30-26(34)25-22-5-3-4-8-33(22)24(32-25)11-17-6-7-21-18(10-17)12-19(27)13-29-21;19-13-9-12-7-11(4-5-14(12)20-10-13)8-16-21-17(18(23)24)15-3-1-2-6-22(15)16/h3-10,12-13H,11,14H2,1-2H3,(H2,28,31)(H,30,34);1-7,9-10H,8H2,(H,23,24).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 808.73 g/mol, XLogP of 8.48, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 157481211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).