3-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol

C21H21N7O — CID 72714951

IUPAC3-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3(O)CCCNC3)n2)n1
InChIInChI=1S/C21H21N7O/c1-14-9-23-12-17(26-14)16-8-18-15(10-24-16)11-25-28(18)20-5-2-4-19(27-20)21(29)6-3-7-22-13-21/h2,4-5,8-12,22,29H,3,6-7,13H2,1H3
InChIKeyQSZOWBXCZPNMQY-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.15
Rot. Bonds3

About 3-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol

3-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol (PubChem CID 72714951) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 3-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol
PubChem CID72714951
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name3-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3(O)CCCNC3)n2)n1
InChIInChI=1S/C21H21N7O/c1-14-9-23-12-17(26-14)16-8-18-15(10-24-16)11-25-28(18)20-5-2-4-19(27-20)21(29)6-3-7-22-13-21/h2,4-5,8-12,22,29H,3,6-7,13H2,1H3
InChIKeyQSZOWBXCZPNMQY-UHFFFAOYSA-N
XLogP2.15
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol?
The IUPAC name of 3-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol (CID 72714951) is 3-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 3-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for 3-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol is Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3(O)CCCNC3)n2)n1.
What is the InChIKey of 3-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol?
The InChIKey is QSZOWBXCZPNMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-14-9-23-12-17(26-14)16-8-18-15(10-24-16)11-25-28(18)20-5-2-4-19(27-20)21(29)6-3-7-22-13-21/h2,4-5,8-12,22,29H,3,6-7,13H2,1H3.
What are the key properties of 3-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol?
3-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol has a molecular weight of 387.45 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 72714951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).