1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine

C21H22N8 — CID 72715291

IUPAC1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)n1
InChIInChI=1S/C21H22N8/c1-15-11-23-14-18(26-15)17-10-19-16(12-24-17)13-25-29(19)21-5-2-4-20(27-21)28-8-3-6-22-7-9-28/h2,4-5,10-14,22H,3,6-9H2,1H3
InChIKeyOZGQEEVEYNXVFZ-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.38
Rot. Bonds3

About 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine

1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine (PubChem CID 72715291) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine
PubChem CID72715291
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)n1
InChIInChI=1S/C21H22N8/c1-15-11-23-14-18(26-15)17-10-19-16(12-24-17)13-25-29(19)21-5-2-4-20(27-21)28-8-3-6-22-7-9-28/h2,4-5,10-14,22H,3,6-9H2,1H3
InChIKeyOZGQEEVEYNXVFZ-UHFFFAOYSA-N
XLogP2.38
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine (CID 72715291) is 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine is Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)n1.
What is the InChIKey of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is OZGQEEVEYNXVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8/c1-15-11-23-14-18(26-15)17-10-19-16(12-24-17)13-25-29(19)21-5-2-4-20(27-21)28-8-3-6-22-7-9-28/h2,4-5,10-14,22H,3,6-9H2,1H3.
What are the key properties of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine?
1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 386.46 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 72715291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).