5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile

C27H30N8O — CID 157128500

IUPAC5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)CC(C)(C)C)CC4)nc3)n3c(C#N)cnc3c2)cn1
InChIInChI=1S/C27H30N8O/c1-27(2,3)13-26(36)34-9-7-33(8-10-34)24-6-5-19(15-29-24)23-11-20(21-16-31-32(4)18-21)12-25-30-17-22(14-28)35(23)25/h5-6,11-12,15-18H,7-10,13H2,1-4H3
InChIKeyAITXXKLEXWTFQC-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.75
Rot. Bonds4

About 5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile

5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 157128500) has the molecular formula C27H30N8O and a molecular weight of 482.59 g/mol. Its IUPAC name is 5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID157128500
Molecular FormulaC27H30N8O
Molecular Weight482.59 g/mol
Exact Mass482.25
IUPAC Name5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)CC(C)(C)C)CC4)nc3)n3c(C#N)cnc3c2)cn1
InChIInChI=1S/C27H30N8O/c1-27(2,3)13-26(36)34-9-7-33(8-10-34)24-6-5-19(15-29-24)23-11-20(21-16-31-32(4)18-21)12-25-30-17-22(14-28)35(23)25/h5-6,11-12,15-18H,7-10,13H2,1-4H3
InChIKeyAITXXKLEXWTFQC-UHFFFAOYSA-N
XLogP3.75
TPSA95.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 167561978
5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 163975060
5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 149125509
N-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide
CID 171521019
7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 157170486
7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 155301240
5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 159566958
4-[6-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740252
tert-butyl N-tert-butyl-N-[2-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 126740126
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-ethyl-N-methylpiperazine-1-carboxamide
CID 126740296
4-[6-[4-(2,2-dimethylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126752966
4-[6-[4-[(3R)-3-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740388

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 157128500) is 5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)CC(C)(C)C)CC4)nc3)n3c(C#N)cnc3c2)cn1.
What is the InChIKey of 5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is AITXXKLEXWTFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O/c1-27(2,3)13-26(36)34-9-7-33(8-10-34)24-6-5-19(15-29-24)23-11-20(21-16-31-32(4)18-21)12-25-30-17-22(14-28)35(23)25/h5-6,11-12,15-18H,7-10,13H2,1-4H3.
What are the key properties of 5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 482.59 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 157128500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).