azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone

C17H22N4O — CID 44822718

IUPACazepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCn1ncc2c(C(=O)N3CCCCCC3)cc(C3CC3)nc21
InChIInChI=1S/C17H22N4O/c1-20-16-14(11-18-20)13(10-15(19-16)12-6-7-12)17(22)21-8-4-2-3-5-9-21/h10-12H,2-9H2,1H3
InChIKeySANVDCHIKPZXNJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.86
Rot. Bonds2

About azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone

azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 44822718) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID44822718
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Nameazepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCn1ncc2c(C(=O)N3CCCCCC3)cc(C3CC3)nc21
InChIInChI=1S/C17H22N4O/c1-20-16-14(11-18-20)13(10-15(19-16)12-6-7-12)17(22)21-8-4-2-3-5-9-21/h10-12H,2-9H2,1H3
InChIKeySANVDCHIKPZXNJ-UHFFFAOYSA-N
XLogP2.86
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 51854360
N-cyclohexyl-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19617014
N-cycloheptyl-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19617086
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 17440231
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 39891388
[6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 134795215
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490883
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39580979
6-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166634178
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 17458792
(2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 126454534
6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-amine
CID 84661533

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone (CID 44822718) is azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone is Cn1ncc2c(C(=O)N3CCCCCC3)cc(C3CC3)nc21.
What is the InChIKey of azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is SANVDCHIKPZXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20-16-14(11-18-20)13(10-15(19-16)12-6-7-12)17(22)21-8-4-2-3-5-9-21/h10-12H,2-9H2,1H3.
What are the key properties of azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone?
azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 44822718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).