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

C20H22N8O — CID 72714575

IUPAC1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol
SMILESCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC(O)C3)n2)cn1
InChIInChI=1S/C20H22N8O/c1-26-12-15(10-23-26)17-7-18-14(8-22-17)9-24-28(18)20-4-2-3-19(25-20)27-6-5-21-11-16(29)13-27/h2-4,7-10,12,16,21,29H,5-6,11,13H2,1H3
InChIKeyWHGGAJVOOZRMSO-UHFFFAOYSA-N
MW390.45 g/mol
LogP0.99
Rot. Bonds3

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

1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol (PubChem CID 72714575) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol.

Molecular Properties

Compound Name1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol
PubChem CID72714575
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol
SMILESCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC(O)C3)n2)cn1
InChIInChI=1S/C20H22N8O/c1-26-12-15(10-23-26)17-7-18-14(8-22-17)9-24-28(18)20-4-2-3-19(25-20)27-6-5-21-11-16(29)13-27/h2-4,7-10,12,16,21,29H,5-6,11,13H2,1H3
InChIKeyWHGGAJVOOZRMSO-UHFFFAOYSA-N
XLogP0.99
TPSA96.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol?
The IUPAC name of 1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol (CID 72714575) is 1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol.
What is the SMILES notation for 1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol?
The canonical SMILES for 1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol is Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC(O)C3)n2)cn1.
What is the InChIKey of 1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol?
The InChIKey is WHGGAJVOOZRMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-26-12-15(10-23-26)17-7-18-14(8-22-17)9-24-28(18)20-4-2-3-19(25-20)27-6-5-21-11-16(29)13-27/h2-4,7-10,12,16,21,29H,5-6,11,13H2,1H3.
What are the key properties of 1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol?
1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol has a molecular weight of 390.45 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol is sourced from PubChem (CID 72714575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).