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

C53H51Cl2FN12O3 — CID 157475183

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid;deuterio(fluoro)methane (PubChem CID 157475183) has the molecular formula C53H51Cl2FN12O3 and a molecular weight of 994.98 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid;deuterio(fluoro)methane.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid;deuterio(fluoro)methane
• PubChem CID: 157475183
• Molecular Formula: C53H51Cl2FN12O3
• Molecular Weight: 994.98 g/mol
• Exact Mass: 993.36
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid;deuterio(fluoro)methane
• SMILES: Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccc3ncc(Cl)cc3c2)c2ccccn12.O=C(O)c1nc(Cc2ccc3ncc(Cl)cc3c2)c2ccccn12.[2H]CF
• InChI: InChI=1S/C26H23ClN6O.C18H12ClN3O2.C8H13N3.CH3F/c1-15-9-24(28)31-16(2)20(15)14-30-26(34)25-32-22(23-5-3-4-8-33(23)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)8-15-16-3-1-2-6-22(16)17(21-15)18(23)24;1-5-3-8(10)11-6(2)7(5)4-9;1-2/h3-10,12-13H,11,14H2,1-2H3,(H2,28,31)(H,30,34);1-7,9-10H,8H2,(H,23,24);3H,4,9H2,1-2H3,(H2,10,11);1H3/i;;;1D
• InChIKey: BVMSIMQRQRTHDJ-PBJKEDEQSA-N
• XLogP: 9.80
• TPSA: 230.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	994.98
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid;deuterio(fluoro)methane?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid;deuterio(fluoro)methane (CID 157475183) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid;deuterio(fluoro)methane.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid;deuterio(fluoro)methane?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid;deuterio(fluoro)methane is Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccc3ncc(Cl)cc3c2)c2ccccn12.O=C(O)c1nc(Cc2ccc3ncc(Cl)cc3c2)c2ccccn12.[2H]CF.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid;deuterio(fluoro)methane?

The InChIKey is BVMSIMQRQRTHDJ-PBJKEDEQSA-N. The full InChI is InChI=1S/C26H23ClN6O.C18H12ClN3O2.C8H13N3.CH3F/c1-15-9-24(28)31-16(2)20(15)14-30-26(34)25-32-22(23-5-3-4-8-33(23)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)8-15-16-3-1-2-6-22(16)17(21-15)18(23)24;1-5-3-8(10)11-6(2)7(5)4-9;1-2/h3-10,12-13H,11,14H2,1-2H3,(H2,28,31)(H,30,34);1-7,9-10H,8H2,(H,23,24);3H,4,9H2,1-2H3,(H2,10,11);1H3/i;;;1D.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid;deuterio(fluoro)methane?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid;deuterio(fluoro)methane has a molecular weight of 994.98 g/mol, XLogP of 9.80, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid;deuterio(fluoro)methane is sourced from PubChem (CID 157475183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).