N-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide

C22H25N5O2 — CID 109069940

IUPACN-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(C(=O)N3CCN(C)CC3)n3ccccc23)cc1
InChIInChI=1S/C22H25N5O2/c1-16-6-8-17(9-7-16)15-23-21(28)19-18-5-3-4-10-27(18)20(24-19)22(29)26-13-11-25(2)12-14-26/h3-10H,11-15H2,1-2H3,(H,23,28)
InChIKeyMHFVCNAGASIFDM-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.96
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide

N-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109069940) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109069940
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(C(=O)N3CCN(C)CC3)n3ccccc23)cc1
InChIInChI=1S/C22H25N5O2/c1-16-6-8-17(9-7-16)15-23-21(28)19-18-5-3-4-10-27(18)20(24-19)22(29)26-13-11-25(2)12-14-26/h3-10H,11-15H2,1-2H3,(H,23,28)
InChIKeyMHFVCNAGASIFDM-UHFFFAOYSA-N
XLogP1.96
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylpiperazine-1-carbonyl)-N-propylimidazo[1,5-a]pyridine-1-carboxamide
CID 109065869
N-[2-(dimethylamino)ethyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069570
3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070021
3-N-[(4-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070389
N-[(4-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069381
3-N,3-N-diethyl-1-N-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070373
3-N-[(4-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065877
3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066823
[3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-piperidin-1-ylmethanone
CID 109068367
3-N-[(4-methylphenyl)methyl]-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070393
N-cycloheptyl-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069951
3-N-benzyl-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070283

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 109069940) is N-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide is Cc1ccc(CNC(=O)c2nc(C(=O)N3CCN(C)CC3)n3ccccc23)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is MHFVCNAGASIFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-6-8-17(9-7-16)15-23-21(28)19-18-5-3-4-10-27(18)20(24-19)22(29)26-13-11-25(2)12-14-26/h3-10H,11-15H2,1-2H3,(H,23,28).
What are the key properties of N-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
N-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109069940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).