(2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid

C41H33Br2F3N8O3 — CID 161371376

IUPAC(2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESNCc1ccnc(Br)c1.O=C(NCc1ccnc(Br)c1)c1cccn2c(-c3ccc(F)cc3)ncc12.O=C(O)c1cccn2c(-c3ccc(F)cc3)ncc12.[2H]CF
InChIInChI=1S/C20H14BrFN4O.C14H9FN2O2.C6H7BrN2.CH3F/c21-18-10-13(7-8-23-18)11-25-20(27)16-2-1-9-26-17(16)12-24-19(26)14-3-5-15(22)6-4-14;15-10-5-3-9(4-6-10)13-16-8-12-11(14(18)19)2-1-7-17(12)13;7-6-3-5(4-8)1-2-9-6;1-2/h1-10,12H,11H2,(H,25,27);1-8H,(H,18,19);1-3H,4,8H2;1H3/i;;;1D
InChIKeyVQMQBSAUSQWSDL-PBJKEDEQSA-N
MW903.58 g/mol
LogP8.95
Rot. Bonds7

About (2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid

(2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 161371376) has the molecular formula C41H33Br2F3N8O3 and a molecular weight of 903.58 g/mol. Its IUPAC name is (2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name(2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID161371376
Molecular FormulaC41H33Br2F3N8O3
Molecular Weight903.58 g/mol
Exact Mass901.11
IUPAC Name(2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESNCc1ccnc(Br)c1.O=C(NCc1ccnc(Br)c1)c1cccn2c(-c3ccc(F)cc3)ncc12.O=C(O)c1cccn2c(-c3ccc(F)cc3)ncc12.[2H]CF
InChIInChI=1S/C20H14BrFN4O.C14H9FN2O2.C6H7BrN2.CH3F/c21-18-10-13(7-8-23-18)11-25-20(27)16-2-1-9-26-17(16)12-24-19(26)14-3-5-15(22)6-4-14;15-10-5-3-9(4-6-10)13-16-8-12-11(14(18)19)2-1-7-17(12)13;7-6-3-5(4-8)1-2-9-6;1-2/h1-10,12H,11H2,(H,25,27);1-8H,(H,18,19);1-3H,4,8H2;1H3/i;;;1D
InChIKeyVQMQBSAUSQWSDL-PBJKEDEQSA-N
XLogP8.95
TPSA152.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.58
LogP ≤ 58.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid with MolForge

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Related Compounds

3-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]imidazo[1,5-a]pyridine-8-carboxamide
CID 52935852
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 84738796
3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide
CID 52935857
N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 23741416
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 70943829
methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 23796751
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367467
2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide
CID 66568573
8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine
CID 134847912
2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide
CID 47028145
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242051
N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane
CID 158165313

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of (2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid (CID 161371376) is (2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for (2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for (2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid is NCc1ccnc(Br)c1.O=C(NCc1ccnc(Br)c1)c1cccn2c(-c3ccc(F)cc3)ncc12.O=C(O)c1cccn2c(-c3ccc(F)cc3)ncc12.[2H]CF.
What is the InChIKey of (2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is VQMQBSAUSQWSDL-PBJKEDEQSA-N. The full InChI is InChI=1S/C20H14BrFN4O.C14H9FN2O2.C6H7BrN2.CH3F/c21-18-10-13(7-8-23-18)11-25-20(27)16-2-1-9-26-17(16)12-24-19(26)14-3-5-15(22)6-4-14;15-10-5-3-9(4-6-10)13-16-8-12-11(14(18)19)2-1-7-17(12)13;7-6-3-5(4-8)1-2-9-6;1-2/h1-10,12H,11H2,(H,25,27);1-8H,(H,18,19);1-3H,4,8H2;1H3/i;;;1D.
What are the key properties of (2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
(2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 903.58 g/mol, XLogP of 8.95, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 161371376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).