6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C22H25N7O — CID 162725896

IUPAC6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCc1cn2ncc(C#N)c2c(-c2ccc(N3CCN(C(=O)CC(C)C)CC3)nc2)n1
InChIInChI=1S/C22H25N7O/c1-15(2)10-20(30)28-8-6-27(7-9-28)19-5-4-17(12-24-19)21-22-18(11-23)13-25-29(22)14-16(3)26-21/h4-5,12-15H,6-10H2,1-3H3
InChIKeyDXZWDUBJDLDAQL-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.67
Rot. Bonds4

About 6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 162725896) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID162725896
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCc1cn2ncc(C#N)c2c(-c2ccc(N3CCN(C(=O)CC(C)C)CC3)nc2)n1
InChIInChI=1S/C22H25N7O/c1-15(2)10-20(30)28-8-6-27(7-9-28)19-5-4-17(12-24-19)21-22-18(11-23)13-25-29(22)14-16(3)26-21/h4-5,12-15H,6-10H2,1-3H3
InChIKeyDXZWDUBJDLDAQL-UHFFFAOYSA-N
XLogP2.67
TPSA90.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethoxy-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826
6-methyl-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 162725441
1-[5-(3-cyano-6-methylpyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
CID 162726130
4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 162725532
4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 135241951
6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 162725620
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
(3S)-3-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 135241309
4-[6-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740252
4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 134437030
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 126740093
6-[(1E)-1-aminobuta-1,3-dien-2-yl]-4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 170182751

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 162725896) is 6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is Cc1cn2ncc(C#N)c2c(-c2ccc(N3CCN(C(=O)CC(C)C)CC3)nc2)n1.
What is the InChIKey of 6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is DXZWDUBJDLDAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-15(2)10-20(30)28-8-6-27(7-9-28)19-5-4-17(12-24-19)21-22-18(11-23)13-25-29(22)14-16(3)26-21/h4-5,12-15H,6-10H2,1-3H3.
What are the key properties of 6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 403.49 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 162725896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).