6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C33H34N10O — CID 146372019

IUPAC6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCN1CCCC1[C@@H](C(=O)N1CCN(c2ccc(-c3nc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)c1ccccc1
InChIInChI=1S/C33H34N10O/c1-39-12-6-9-28(39)30(23-7-4-3-5-8-23)33(44)42-15-13-41(14-16-42)29-11-10-24(18-35-29)31-32-25(17-34)19-37-43(32)22-27(38-31)26-20-36-40(2)21-26/h3-5,7-8,10-11,18-22,28,30H,6,9,12-16H2,1-2H3/t28?,30-/m0/s1
InChIKeyDIRREBVUVALTMF-TXDWVUBVSA-N
MW586.70 g/mol
LogP3.59
Rot. Bonds6

About 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 146372019) has the molecular formula C33H34N10O and a molecular weight of 586.70 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID146372019
Molecular FormulaC33H34N10O
Molecular Weight586.70 g/mol
Exact Mass586.29
IUPAC Name6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCN1CCCC1[C@@H](C(=O)N1CCN(c2ccc(-c3nc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)c1ccccc1
InChIInChI=1S/C33H34N10O/c1-39-12-6-9-28(39)30(23-7-4-3-5-8-23)33(44)42-15-13-41(14-16-42)29-11-10-24(18-35-29)31-32-25(17-34)19-37-43(32)22-27(38-31)26-20-36-40(2)21-26/h3-5,7-8,10-11,18-22,28,30H,6,9,12-16H2,1-2H3/t28?,30-/m0/s1
InChIKeyDIRREBVUVALTMF-TXDWVUBVSA-N
XLogP3.59
TPSA111.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.70
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 146372019) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is CN1CCCC1[C@@H](C(=O)N1CCN(c2ccc(-c3nc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)c1ccccc1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is DIRREBVUVALTMF-TXDWVUBVSA-N. The full InChI is InChI=1S/C33H34N10O/c1-39-12-6-9-28(39)30(23-7-4-3-5-8-23)33(44)42-15-13-41(14-16-42)29-11-10-24(18-35-29)31-32-25(17-34)19-37-43(32)22-27(38-31)26-20-36-40(2)21-26/h3-5,7-8,10-11,18-22,28,30H,6,9,12-16H2,1-2H3/t28?,30-/m0/s1.
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 586.70 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-(1-methylpyrrolidin-2-yl)-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 146372019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).