N-methyl-N-pyridin-4-yl-3-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

C25H20F3N5O3S — CID 155831315

IUPACN-methyl-N-pyridin-4-yl-3-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C(=O)c1nc(-c2ccn(Cc3cccs3)c2)n2ccccc12)c1ccncc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H19N5OS.C2HF3O2/c1-26(18-7-10-24-11-8-18)23(29)21-20-6-2-3-12-28(20)22(25-21)17-9-13-27(15-17)16-19-5-4-14-30-19;3-2(4,5)1(6)7/h2-15H,16H2,1H3;(H,6,7)
InChIKeyGKCQMKLVMFLLAC-UHFFFAOYSA-N
MW527.53 g/mol
LogP5.22
Rot. Bonds5

About N-methyl-N-pyridin-4-yl-3-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

N-methyl-N-pyridin-4-yl-3-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155831315) has the molecular formula C25H20F3N5O3S and a molecular weight of 527.53 g/mol. Its IUPAC name is N-methyl-N-pyridin-4-yl-3-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-pyridin-4-yl-3-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155831315
Molecular FormulaC25H20F3N5O3S
Molecular Weight527.53 g/mol
Exact Mass527.12
IUPAC NameN-methyl-N-pyridin-4-yl-3-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C(=O)c1nc(-c2ccn(Cc3cccs3)c2)n2ccccc12)c1ccncc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H19N5OS.C2HF3O2/c1-26(18-7-10-24-11-8-18)23(29)21-20-6-2-3-12-28(20)22(25-21)17-9-13-27(15-17)16-19-5-4-14-30-19;3-2(4,5)1(6)7/h2-15H,16H2,1H3;(H,6,7)
InChIKeyGKCQMKLVMFLLAC-UHFFFAOYSA-N
XLogP5.22
TPSA92.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.53
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridin-4-yl-3-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-pyridin-4-yl-3-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155831315) is N-methyl-N-pyridin-4-yl-3-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-pyridin-4-yl-3-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-pyridin-4-yl-3-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is CN(C(=O)c1nc(-c2ccn(Cc3cccs3)c2)n2ccccc12)c1ccncc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-pyridin-4-yl-3-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GKCQMKLVMFLLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS.C2HF3O2/c1-26(18-7-10-24-11-8-18)23(29)21-20-6-2-3-12-28(20)22(25-21)17-9-13-27(15-17)16-19-5-4-14-30-19;3-2(4,5)1(6)7/h2-15H,16H2,1H3;(H,6,7).
What are the key properties of N-methyl-N-pyridin-4-yl-3-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
N-methyl-N-pyridin-4-yl-3-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 527.53 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridin-4-yl-3-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155831315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).