2-(azepan-1-yl)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

C17H26N4O — CID 91842955

IUPAC2-(azepan-1-yl)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESO=C(CN1CCCCCC1)N1CCc2[nH]nc(C3CC3)c2C1
InChIInChI=1S/C17H26N4O/c22-16(12-20-8-3-1-2-4-9-20)21-10-7-15-14(11-21)17(19-18-15)13-5-6-13/h13H,1-12H2,(H,18,19)
InChIKeyURXIPCZFQYPBOR-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.05
Rot. Bonds3

About 2-(azepan-1-yl)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

2-(azepan-1-yl)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 91842955) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
PubChem CID91842955
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-(azepan-1-yl)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESO=C(CN1CCCCCC1)N1CCc2[nH]nc(C3CC3)c2C1
InChIInChI=1S/C17H26N4O/c22-16(12-20-8-3-1-2-4-9-20)21-10-7-15-14(11-21)17(19-18-15)13-5-6-13/h13H,1-12H2,(H,18,19)
InChIKeyURXIPCZFQYPBOR-UHFFFAOYSA-N
XLogP2.05
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(azepan-1-yl)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 91842955) is 2-(azepan-1-yl)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(azepan-1-yl)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(azepan-1-yl)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is O=C(CN1CCCCCC1)N1CCc2[nH]nc(C3CC3)c2C1.
What is the InChIKey of 2-(azepan-1-yl)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The InChIKey is URXIPCZFQYPBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c22-16(12-20-8-3-1-2-4-9-20)21-10-7-15-14(11-21)17(19-18-15)13-5-6-13/h13H,1-12H2,(H,18,19).
What are the key properties of 2-(azepan-1-yl)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
2-(azepan-1-yl)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 91842955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).