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

C25H23N11 — CID 146372003

IUPAC6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCN(Cc5ncccn5)CC4)nc3)n2)cn1
InChIInChI=1S/C25H23N11/c1-33-15-20(14-30-33)21-16-36-25(19(11-26)13-31-36)24(32-21)18-3-4-23(29-12-18)35-9-7-34(8-10-35)17-22-27-5-2-6-28-22/h2-6,12-16H,7-10,17H2,1H3
InChIKeyNPKBFYZOOLWRTQ-UHFFFAOYSA-N
MW477.54 g/mol
LogP2.18
Rot. Bonds5

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

6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 146372003) has the molecular formula C25H23N11 and a molecular weight of 477.54 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID146372003
Molecular FormulaC25H23N11
Molecular Weight477.54 g/mol
Exact Mass477.21
IUPAC Name6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCN(Cc5ncccn5)CC4)nc3)n2)cn1
InChIInChI=1S/C25H23N11/c1-33-15-20(14-30-33)21-16-36-25(19(11-26)13-31-36)24(32-21)18-3-4-23(29-12-18)35-9-7-34(8-10-35)17-22-27-5-2-6-28-22/h2-6,12-16H,7-10,17H2,1H3
InChIKeyNPKBFYZOOLWRTQ-UHFFFAOYSA-N
XLogP2.18
TPSA116.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.54
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 146372003) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)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-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCN(Cc5ncccn5)CC4)nc3)n2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is NPKBFYZOOLWRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N11/c1-33-15-20(14-30-33)21-16-36-25(19(11-26)13-31-36)24(32-21)18-3-4-23(29-12-18)35-9-7-34(8-10-35)17-22-27-5-2-6-28-22/h2-6,12-16H,7-10,17H2,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 477.54 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 146372003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).