1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]azetidin-3-ol

C22H23N9O — CID 72714949

IUPAC1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]azetidin-3-ol
SMILESOC1CN(c2cncc(-c3cc4c(cn3)cnn4-c3cccc(N4CCNCC4)n3)n2)C1
InChIInChI=1S/C22H23N9O/c32-16-13-30(14-16)22-12-24-11-18(27-22)17-8-19-15(9-25-17)10-26-31(19)21-3-1-2-20(28-21)29-6-4-23-5-7-29/h1-3,8-12,16,23,32H,4-7,13-14H2
InChIKeyLVCFJRVHJZAYQL-UHFFFAOYSA-N
MW429.49 g/mol
LogP0.86
Rot. Bonds4

About 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]azetidin-3-ol

1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]azetidin-3-ol (PubChem CID 72714949) has the molecular formula C22H23N9O and a molecular weight of 429.49 g/mol. Its IUPAC name is 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]azetidin-3-ol
PubChem CID72714949
Molecular FormulaC22H23N9O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Name1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]azetidin-3-ol
SMILESOC1CN(c2cncc(-c3cc4c(cn3)cnn4-c3cccc(N4CCNCC4)n3)n2)C1
InChIInChI=1S/C22H23N9O/c32-16-13-30(14-16)22-12-24-11-18(27-22)17-8-19-15(9-25-17)10-26-31(19)21-3-1-2-20(28-21)29-6-4-23-5-7-29/h1-3,8-12,16,23,32H,4-7,13-14H2
InChIKeyLVCFJRVHJZAYQL-UHFFFAOYSA-N
XLogP0.86
TPSA108.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]azetidin-3-ol?
The IUPAC name of 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]azetidin-3-ol (CID 72714949) is 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]azetidin-3-ol.
What is the SMILES notation for 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]azetidin-3-ol?
The canonical SMILES for 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]azetidin-3-ol is OC1CN(c2cncc(-c3cc4c(cn3)cnn4-c3cccc(N4CCNCC4)n3)n2)C1.
What is the InChIKey of 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]azetidin-3-ol?
The InChIKey is LVCFJRVHJZAYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O/c32-16-13-30(14-16)22-12-24-11-18(27-22)17-8-19-15(9-25-17)10-26-31(19)21-3-1-2-20(28-21)29-6-4-23-5-7-29/h1-3,8-12,16,23,32H,4-7,13-14H2.
What are the key properties of 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]azetidin-3-ol?
1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]azetidin-3-ol has a molecular weight of 429.49 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]azetidin-3-ol is sourced from PubChem (CID 72714949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).