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

C32H34N10O2 — CID 146371995

IUPAC4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCOc1ccc(CN2CCN(c3ccc(-c4nc(-c5cnn(CC6CCOCC6)c5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C32H34N10O2/c1-43-30-5-2-24(15-35-30)19-39-8-10-40(11-9-39)29-4-3-25(16-34-29)31-32-26(14-33)17-37-42(32)22-28(38-31)27-18-36-41(21-27)20-23-6-12-44-13-7-23/h2-5,15-18,21-23H,6-13,19-20H2,1H3
InChIKeyDXWKBAVRZMFHIG-UHFFFAOYSA-N
MW590.69 g/mol
LogP3.68
Rot. Bonds8

About 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-ylmethyl)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-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 146371995) has the molecular formula C32H34N10O2 and a molecular weight of 590.69 g/mol. Its IUPAC name is 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-ylmethyl)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-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID146371995
Molecular FormulaC32H34N10O2
Molecular Weight590.69 g/mol
Exact Mass590.29
IUPAC Name4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCOc1ccc(CN2CCN(c3ccc(-c4nc(-c5cnn(CC6CCOCC6)c5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C32H34N10O2/c1-43-30-5-2-24(15-35-30)19-39-8-10-40(11-9-39)29-4-3-25(16-34-29)31-32-26(14-33)17-37-42(32)22-28(38-31)27-18-36-41(21-27)20-23-6-12-44-13-7-23/h2-5,15-18,21-23H,6-13,19-20H2,1H3
InChIKeyDXWKBAVRZMFHIG-UHFFFAOYSA-N
XLogP3.68
TPSA122.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.69
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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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-(oxan-4-ylmethyl)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-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 146371995) is 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-ylmethyl)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-(oxan-4-ylmethyl)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-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is COc1ccc(CN2CCN(c3ccc(-c4nc(-c5cnn(CC6CCOCC6)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-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is DXWKBAVRZMFHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N10O2/c1-43-30-5-2-24(15-35-30)19-39-8-10-40(11-9-39)29-4-3-25(16-34-29)31-32-26(14-33)17-37-42(32)22-28(38-31)27-18-36-41(21-27)20-23-6-12-44-13-7-23/h2-5,15-18,21-23H,6-13,19-20H2,1H3.
What are the key properties of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-ylmethyl)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-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 590.69 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 12 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-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 146371995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).