[3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone

C20H22N4O2 — CID 146066968

IUPAC[3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone
SMILESCc1cnc(-c2nn(C(C)C)c3c2CN(C(=O)c2ccccc2)CC3)o1
InChIInChI=1S/C20H22N4O2/c1-13(2)24-17-9-10-23(20(25)15-7-5-4-6-8-15)12-16(17)18(22-24)19-21-11-14(3)26-19/h4-8,11,13H,9-10,12H2,1-3H3
InChIKeyCNFJTUJRNUKAND-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.63
Rot. Bonds3

About [3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone

[3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone (PubChem CID 146066968) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone
PubChem CID146066968
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone
SMILESCc1cnc(-c2nn(C(C)C)c3c2CN(C(=O)c2ccccc2)CC3)o1
InChIInChI=1S/C20H22N4O2/c1-13(2)24-17-9-10-23(20(25)15-7-5-4-6-8-15)12-16(17)18(22-24)19-21-11-14(3)26-19/h4-8,11,13H,9-10,12H2,1-3H3
InChIKeyCNFJTUJRNUKAND-UHFFFAOYSA-N
XLogP3.63
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone?
The IUPAC name of [3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone (CID 146066968) is [3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone.
What is the SMILES notation for [3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone?
The canonical SMILES for [3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone is Cc1cnc(-c2nn(C(C)C)c3c2CN(C(=O)c2ccccc2)CC3)o1.
What is the InChIKey of [3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone?
The InChIKey is CNFJTUJRNUKAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13(2)24-17-9-10-23(20(25)15-7-5-4-6-8-15)12-16(17)18(22-24)19-21-11-14(3)26-19/h4-8,11,13H,9-10,12H2,1-3H3.
What are the key properties of [3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone?
[3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone has a molecular weight of 350.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone is sourced from PubChem (CID 146066968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).