N-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide

C25H32N6O3 — CID 164991898

IUPACN-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2cc3nc(CCC(C)(C)O)cn3cc2NC(=O)c2cccc(C)n2)CC1
InChIInChI=1S/C25H32N6O3/c1-17-6-5-7-20(26-17)24(33)28-21-16-31-15-19(8-9-25(3,4)34)27-23(31)14-22(21)30-12-10-29(11-13-30)18(2)32/h5-7,14-16,34H,8-13H2,1-4H3,(H,28,33)
InChIKeyQIKRIPKHQVZHRN-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.66
Rot. Bonds6

About N-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide

N-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide (PubChem CID 164991898) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
PubChem CID164991898
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC NameN-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2cc3nc(CCC(C)(C)O)cn3cc2NC(=O)c2cccc(C)n2)CC1
InChIInChI=1S/C25H32N6O3/c1-17-6-5-7-20(26-17)24(33)28-21-16-31-15-19(8-9-25(3,4)34)27-23(31)14-22(21)30-12-10-29(11-13-30)18(2)32/h5-7,14-16,34H,8-13H2,1-4H3,(H,28,33)
InChIKeyQIKRIPKHQVZHRN-UHFFFAOYSA-N
XLogP2.66
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
CID 165012438
N-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
CID 155166969
N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 155483924
2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 170361497
N-(cyclopropylmethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
CID 155167173
3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 164822102
N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
CID 165028576
(Z)-N-[7-(4-fluoro-4-iodopiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-[1-(2-methyl-4-pyridinyl)ethylideneamino]but-2-enamide
CID 167066097
3-[7-(4-carbamoylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 164822108
2-(3-hydroxy-3-methylbutyl)-3-methyl-5-[(6-methylpyridine-2-carbonyl)amino]indazole-6-carboxylic acid
CID 121364949
N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
CID 164996643
ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
CID 155167092

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide (CID 164991898) is N-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide is CC(=O)N1CCN(c2cc3nc(CCC(C)(C)O)cn3cc2NC(=O)c2cccc(C)n2)CC1.
What is the InChIKey of N-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is QIKRIPKHQVZHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-17-6-5-7-20(26-17)24(33)28-21-16-31-15-19(8-9-25(3,4)34)27-23(31)14-22(21)30-12-10-29(11-13-30)18(2)32/h5-7,14-16,34H,8-13H2,1-4H3,(H,28,33).
What are the key properties of N-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide?
N-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 164991898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).