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

C21H23N7O — CID 72714576

IUPAC4-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azepan-4-ol
SMILESCn1cc(-c2cc3c(cn2)cnn3-c2cccc(C3(O)CCCNCC3)n2)cn1
InChIInChI=1S/C21H23N7O/c1-27-14-16(13-24-27)17-10-18-15(11-23-17)12-25-28(18)20-5-2-4-19(26-20)21(29)6-3-8-22-9-7-21/h2,4-5,10-14,22,29H,3,6-9H2,1H3
InChIKeyDIMWPKIMCQOTSC-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.18
Rot. Bonds3

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

4-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azepan-4-ol (PubChem CID 72714576) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azepan-4-ol.

Molecular Properties

Compound Name4-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azepan-4-ol
PubChem CID72714576
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name4-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azepan-4-ol
SMILESCn1cc(-c2cc3c(cn2)cnn3-c2cccc(C3(O)CCCNCC3)n2)cn1
InChIInChI=1S/C21H23N7O/c1-27-14-16(13-24-27)17-10-18-15(11-23-17)12-25-28(18)20-5-2-4-19(26-20)21(29)6-3-8-22-9-7-21/h2,4-5,10-14,22,29H,3,6-9H2,1H3
InChIKeyDIMWPKIMCQOTSC-UHFFFAOYSA-N
XLogP2.18
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azepan-4-ol?
The IUPAC name of 4-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azepan-4-ol (CID 72714576) is 4-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azepan-4-ol.
What is the SMILES notation for 4-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azepan-4-ol?
The canonical SMILES for 4-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azepan-4-ol is Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(C3(O)CCCNCC3)n2)cn1.
What is the InChIKey of 4-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azepan-4-ol?
The InChIKey is DIMWPKIMCQOTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-27-14-16(13-24-27)17-10-18-15(11-23-17)12-25-28(18)20-5-2-4-19(26-20)21(29)6-3-8-22-9-7-21/h2,4-5,10-14,22,29H,3,6-9H2,1H3.
What are the key properties of 4-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azepan-4-ol?
4-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azepan-4-ol has a molecular weight of 389.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azepan-4-ol is sourced from PubChem (CID 72714576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).