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

C28H29N9O — CID 162725532

IUPAC4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCC(=O)N1CCN(c2ccc(-c3nc(-c4ccc(N5CCNCC5)cc4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C28H29N9O/c1-20(38)34-12-14-36(15-13-34)26-7-4-22(17-31-26)27-28-23(16-29)18-32-37(28)19-25(33-27)21-2-5-24(6-3-21)35-10-8-30-9-11-35/h2-7,17-19,30H,8-15H2,1H3
InChIKeyZVSQXGXSOKNEQV-UHFFFAOYSA-N
MW507.60 g/mol
LogP2.41
Rot. Bonds4

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

4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 162725532) has the molecular formula C28H29N9O and a molecular weight of 507.60 g/mol. Its IUPAC name is 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID162725532
Molecular FormulaC28H29N9O
Molecular Weight507.60 g/mol
Exact Mass507.25
IUPAC Name4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCC(=O)N1CCN(c2ccc(-c3nc(-c4ccc(N5CCNCC5)cc4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C28H29N9O/c1-20(38)34-12-14-36(15-13-34)26-7-4-22(17-31-26)27-28-23(16-29)18-32-37(28)19-25(33-27)21-2-5-24(6-3-21)35-10-8-30-9-11-35/h2-7,17-19,30H,8-15H2,1H3
InChIKeyZVSQXGXSOKNEQV-UHFFFAOYSA-N
XLogP2.41
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.60
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride
CID 135241456
6-methyl-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 162725441
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
(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
6-(1-methylpyrazol-4-yl)-4-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 175803675
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-[(2R)-2-amino-2-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 135241914
6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 162725896
4-[6-[4-[2-(dimethylamino)-2-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 146371993
4-[6-[4-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 135241661
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
tert-butyl (2R)-2-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperazine-1-carbonyl]-2-methylpyrrolidine-1-carboxylate
CID 153452994

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 162725532) is 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is CC(=O)N1CCN(c2ccc(-c3nc(-c4ccc(N5CCNCC5)cc4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is ZVSQXGXSOKNEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N9O/c1-20(38)34-12-14-36(15-13-34)26-7-4-22(17-31-26)27-28-23(16-29)18-32-37(28)19-25(33-27)21-2-5-24(6-3-21)35-10-8-30-9-11-35/h2-7,17-19,30H,8-15H2,1H3.
What are the key properties of 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 507.60 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 162725532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).