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

C19H20N8 — CID 72715619

IUPAC1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridine
SMILESc1cc(N2CCCNCC2)nc(-n2ncc3cnc(-c4cn[nH]c4)cc32)c1
InChIInChI=1S/C19H20N8/c1-3-18(26-7-2-5-20-6-8-26)25-19(4-1)27-17-9-16(14-11-22-23-12-14)21-10-15(17)13-24-27/h1,3-4,9-13,20H,2,5-8H2,(H,22,23)
InChIKeyCYOQMLSODZDBGH-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.01
Rot. Bonds3

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

1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridine (PubChem CID 72715619) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridine
PubChem CID72715619
Molecular FormulaC19H20N8
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridine
SMILESc1cc(N2CCCNCC2)nc(-n2ncc3cnc(-c4cn[nH]c4)cc32)c1
InChIInChI=1S/C19H20N8/c1-3-18(26-7-2-5-20-6-8-26)25-19(4-1)27-17-9-16(14-11-22-23-12-14)21-10-15(17)13-24-27/h1,3-4,9-13,20H,2,5-8H2,(H,22,23)
InChIKeyCYOQMLSODZDBGH-UHFFFAOYSA-N
XLogP2.01
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridine (CID 72715619) is 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridine is c1cc(N2CCCNCC2)nc(-n2ncc3cnc(-c4cn[nH]c4)cc32)c1.
What is the InChIKey of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is CYOQMLSODZDBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8/c1-3-18(26-7-2-5-20-6-8-26)25-19(4-1)27-17-9-16(14-11-22-23-12-14)21-10-15(17)13-24-27/h1,3-4,9-13,20H,2,5-8H2,(H,22,23).
What are the key properties of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridine?
1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 360.43 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 72715619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).