4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C32H35N11O2 — CID 146371982

IUPAC4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCOc1ccc(CN2CCN(c3ccc(-c4nc(-c5cnn(CCN6CCOCC6)c5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C32H35N11O2/c1-44-30-5-2-24(17-35-30)21-40-6-9-41(10-7-40)29-4-3-25(18-34-29)31-32-26(16-33)19-37-43(32)23-28(38-31)27-20-36-42(22-27)11-8-39-12-14-45-15-13-39/h2-5,17-20,22-23H,6-15,21H2,1H3
InChIKeyHQAZOPYPNZHDSJ-UHFFFAOYSA-N
MW605.71 g/mol
LogP2.58
Rot. Bonds9

About 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 146371982) has the molecular formula C32H35N11O2 and a molecular weight of 605.71 g/mol. Its IUPAC name is 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID146371982
Molecular FormulaC32H35N11O2
Molecular Weight605.71 g/mol
Exact Mass605.30
IUPAC Name4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCOc1ccc(CN2CCN(c3ccc(-c4nc(-c5cnn(CCN6CCOCC6)c5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C32H35N11O2/c1-44-30-5-2-24(17-35-30)21-40-6-9-41(10-7-40)29-4-3-25(18-34-29)31-32-26(16-33)19-37-43(32)23-28(38-31)27-20-36-42(22-27)11-8-39-12-14-45-15-13-39/h2-5,17-20,22-23H,6-15,21H2,1H3
InChIKeyHQAZOPYPNZHDSJ-UHFFFAOYSA-N
XLogP2.58
TPSA125.76 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.71
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile with MolForge

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(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
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(S)-2-((6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl)-4-(5-(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)pyrimidin-2-yl)morpholine
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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 146371982) is 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is COc1ccc(CN2CCN(c3ccc(-c4nc(-c5cnn(CCN6CCOCC6)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.
What is the InChIKey of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is HQAZOPYPNZHDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N11O2/c1-44-30-5-2-24(17-35-30)21-40-6-9-41(10-7-40)29-4-3-25(18-34-29)31-32-26(16-33)19-37-43(32)23-28(38-31)27-20-36-42(22-27)11-8-39-12-14-45-15-13-39/h2-5,17-20,22-23H,6-15,21H2,1H3.
What are the key properties of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 605.71 g/mol, XLogP of 2.58, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 146371982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).