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

C29H26F3N5O5 — CID 155849060

IUPACN-[(2,5-dimethoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(OC)c(CNC(=O)c2nc(-c3ccn(Cc4cccnc4)c3)n3ccccc23)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C27H25N5O3.C2HF3O2/c1-34-22-8-9-24(35-2)21(14-22)16-29-27(33)25-23-7-3-4-12-32(23)26(30-25)20-10-13-31(18-20)17-19-6-5-11-28-15-19;3-2(4,5)1(6)7/h3-15,18H,16-17H2,1-2H3,(H,29,33);(H,6,7)
InChIKeyCRABCRKRPAKCFQ-UHFFFAOYSA-N
MW581.55 g/mol
LogP4.83
Rot. Bonds8

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

N-[(2,5-dimethoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155849060) has the molecular formula C29H26F3N5O5 and a molecular weight of 581.55 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155849060
Molecular FormulaC29H26F3N5O5
Molecular Weight581.55 g/mol
Exact Mass581.19
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(OC)c(CNC(=O)c2nc(-c3ccn(Cc4cccnc4)c3)n3ccccc23)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C27H25N5O3.C2HF3O2/c1-34-22-8-9-24(35-2)21(14-22)16-29-27(33)25-23-7-3-4-12-32(23)26(30-25)20-10-13-31(18-20)17-19-6-5-11-28-15-19;3-2(4,5)1(6)7/h3-15,18H,16-17H2,1-2H3,(H,29,33);(H,6,7)
InChIKeyCRABCRKRPAKCFQ-UHFFFAOYSA-N
XLogP4.83
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.55
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-pyridin-3-yl-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 69004411
3-pyridin-3-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 69004552
N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 91909217
3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 97361970
3-(1-phenylimidazol-4-yl)-N-(2-pyridin-3-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 97447063
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051619
3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070267
4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide
CID 97442209
N-[(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051264
3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide
CID 97446919
3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070533
5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 17052447

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155849060) is N-[(2,5-dimethoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is COc1ccc(OC)c(CNC(=O)c2nc(-c3ccn(Cc4cccnc4)c3)n3ccccc23)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CRABCRKRPAKCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3.C2HF3O2/c1-34-22-8-9-24(35-2)21(14-22)16-29-27(33)25-23-7-3-4-12-32(23)26(30-25)20-10-13-31(18-20)17-19-6-5-11-28-15-19;3-2(4,5)1(6)7/h3-15,18H,16-17H2,1-2H3,(H,29,33);(H,6,7).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
N-[(2,5-dimethoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 581.55 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155849060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).