N-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

C23H22F3N5O3 — CID 155831368

IUPACN-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cccc(NC(=O)c2nc(-c3ccn(C(C)C)c3)n3ccccc23)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H21N5O.C2HF3O2/c1-14(2)25-12-10-16(13-25)20-24-19(17-8-4-5-11-26(17)20)21(27)23-18-9-6-7-15(3)22-18;3-2(4,5)1(6)7/h4-14H,1-3H3,(H,22,23,27);(H,6,7)
InChIKeyKSKGIPTXZSOWRZ-UHFFFAOYSA-N
MW473.46 g/mol
LogP4.97
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

N-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155831368) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155831368
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC NameN-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cccc(NC(=O)c2nc(-c3ccn(C(C)C)c3)n3ccccc23)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H21N5O.C2HF3O2/c1-14(2)25-12-10-16(13-25)20-24-19(17-8-4-5-11-26(17)20)21(27)23-18-9-6-7-15(3)22-18;3-2(4,5)1(6)7/h4-14H,1-3H3,(H,22,23,27);(H,6,7)
InChIKeyKSKGIPTXZSOWRZ-UHFFFAOYSA-N
XLogP4.97
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155831368) is N-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is Cc1cccc(NC(=O)c2nc(-c3ccn(C(C)C)c3)n3ccccc23)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KSKGIPTXZSOWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O.C2HF3O2/c1-14(2)25-12-10-16(13-25)20-24-19(17-8-4-5-11-26(17)20)21(27)23-18-9-6-7-15(3)22-18;3-2(4,5)1(6)7/h4-14H,1-3H3,(H,22,23,27);(H,6,7).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
N-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 473.46 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155831368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).