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

C22H24N8O — CID 72715539

IUPAC1-[6-[6-(6-ethylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol
SMILESCCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC(O)C3)n2)n1
InChIInChI=1S/C22H24N8O/c1-2-16-11-24-13-19(27-16)18-8-20-15(9-25-18)10-26-30(20)22-5-3-4-21(28-22)29-7-6-23-12-17(31)14-29/h3-5,8-11,13,17,23,31H,2,6-7,12,14H2,1H3
InChIKeyPSCVBRQZWNSBAR-UHFFFAOYSA-N
MW416.49 g/mol
LogP1.61
Rot. Bonds4

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

1-[6-[6-(6-ethylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol (PubChem CID 72715539) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-[6-[6-(6-ethylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol.

Molecular Properties

Compound Name1-[6-[6-(6-ethylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol
PubChem CID72715539
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name1-[6-[6-(6-ethylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol
SMILESCCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC(O)C3)n2)n1
InChIInChI=1S/C22H24N8O/c1-2-16-11-24-13-19(27-16)18-8-20-15(9-25-18)10-26-30(20)22-5-3-4-21(28-22)29-7-6-23-12-17(31)14-29/h3-5,8-11,13,17,23,31H,2,6-7,12,14H2,1H3
InChIKeyPSCVBRQZWNSBAR-UHFFFAOYSA-N
XLogP1.61
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-(6-ethylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol?
The IUPAC name of 1-[6-[6-(6-ethylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol (CID 72715539) is 1-[6-[6-(6-ethylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol.
What is the SMILES notation for 1-[6-[6-(6-ethylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol?
The canonical SMILES for 1-[6-[6-(6-ethylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol is CCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC(O)C3)n2)n1.
What is the InChIKey of 1-[6-[6-(6-ethylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol?
The InChIKey is PSCVBRQZWNSBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-2-16-11-24-13-19(27-16)18-8-20-15(9-25-18)10-26-30(20)22-5-3-4-21(28-22)29-7-6-23-12-17(31)14-29/h3-5,8-11,13,17,23,31H,2,6-7,12,14H2,1H3.
What are the key properties of 1-[6-[6-(6-ethylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol?
1-[6-[6-(6-ethylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol has a molecular weight of 416.49 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-(6-ethylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol is sourced from PubChem (CID 72715539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).