5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile

C16H15N7O — CID 157012422

IUPAC5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile
SMILESCn1ncc2ncc(C(=O)N3CCCn4nc(C#N)cc4C3)cc21
InChIInChI=1S/C16H15N7O/c1-21-15-5-11(8-18-14(15)9-19-21)16(24)22-3-2-4-23-13(10-22)6-12(7-17)20-23/h5-6,8-9H,2-4,10H2,1H3
InChIKeyAWQBALCRJALWHV-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.08
Rot. Bonds1

About 5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile

5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile (PubChem CID 157012422) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile.

Molecular Properties

Compound Name5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile
PubChem CID157012422
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile
SMILESCn1ncc2ncc(C(=O)N3CCCn4nc(C#N)cc4C3)cc21
InChIInChI=1S/C16H15N7O/c1-21-15-5-11(8-18-14(15)9-19-21)16(24)22-3-2-4-23-13(10-22)6-12(7-17)20-23/h5-6,8-9H,2-4,10H2,1H3
InChIKeyAWQBALCRJALWHV-UHFFFAOYSA-N
XLogP1.08
TPSA92.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile?
The IUPAC name of 5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile (CID 157012422) is 5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile.
What is the SMILES notation for 5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile?
The canonical SMILES for 5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile is Cn1ncc2ncc(C(=O)N3CCCn4nc(C#N)cc4C3)cc21.
What is the InChIKey of 5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile?
The InChIKey is AWQBALCRJALWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-21-15-5-11(8-18-14(15)9-19-21)16(24)22-3-2-4-23-13(10-22)6-12(7-17)20-23/h5-6,8-9H,2-4,10H2,1H3.
What are the key properties of 5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile?
5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile has a molecular weight of 321.34 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile is sourced from PubChem (CID 157012422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).