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

C20H22N8 — CID 72714480

IUPAC1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine
SMILESCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1
InChIInChI=1S/C20H22N8/c1-26-14-16(13-23-26)17-10-18-15(11-22-17)12-24-28(18)20-5-2-4-19(25-20)27-8-3-6-21-7-9-27/h2,4-5,10-14,21H,3,6-9H2,1H3
InChIKeySFYXMVJWOAJPOJ-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.02
Rot. Bonds3

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

1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine (PubChem CID 72714480) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine
PubChem CID72714480
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine
SMILESCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1
InChIInChI=1S/C20H22N8/c1-26-14-16(13-23-26)17-10-18-15(11-22-17)12-24-28(18)20-5-2-4-19(25-20)27-8-3-6-21-7-9-27/h2,4-5,10-14,21H,3,6-9H2,1H3
InChIKeySFYXMVJWOAJPOJ-UHFFFAOYSA-N
XLogP2.02
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.02
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-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine (CID 72714480) is 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine is Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1.
What is the InChIKey of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is SFYXMVJWOAJPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-26-14-16(13-23-26)17-10-18-15(11-22-17)12-24-28(18)20-5-2-4-19(25-20)27-8-3-6-21-7-9-27/h2,4-5,10-14,21H,3,6-9H2,1H3.
What are the key properties of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine?
1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 374.45 g/mol, XLogP of 2.02, 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-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 72714480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).