(2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

C22H18ClN5O2 — CID 53018498

IUPAC(2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1ccccc1Cl)C2
InChIInChI=1S/C22H18ClN5O2/c1-27-18-11-12-28(22(29)15-9-5-6-10-17(15)23)13-16(18)19(25-27)21-24-20(26-30-21)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3
InChIKeyMXYQBTRGZWJWEV-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.99
Rot. Bonds3

About (2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

(2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 53018498) has the molecular formula C22H18ClN5O2 and a molecular weight of 419.87 g/mol. Its IUPAC name is (2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID53018498
Molecular FormulaC22H18ClN5O2
Molecular Weight419.87 g/mol
Exact Mass419.11
IUPAC Name(2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1ccccc1Cl)C2
InChIInChI=1S/C22H18ClN5O2/c1-27-18-11-12-28(22(29)15-9-5-6-10-17(15)23)13-16(18)19(25-27)21-24-20(26-30-21)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3
InChIKeyMXYQBTRGZWJWEV-UHFFFAOYSA-N
XLogP3.99
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

3-ethyl-5-[5-(1-ethyl-5-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-pyridin-2-one
CID 136147416
5-[1-benzyl-3-(tert-butyl)-1H-pyrazol-5-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 2742608
tert-butyl N-[[5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42636999
tert-butyl N-[[5-[1-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42638064
5-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-fluorophenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372901
[5-[1-[(2-Chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637135
[5-[1-[(3-Chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637203
[5-[2-[(3-Chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637204
N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 42637361
tert-butyl N-[[5-[1-[(2-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637499
5-[5-(4-Fluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-3-phenyl-1,2,4-oxadiazole
CID 50833984
5-[5-(3-Fluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-3-phenyl-1,2,4-oxadiazole
CID 50833985

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 53018498) is (2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1ccccc1Cl)C2.
What is the InChIKey of (2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is MXYQBTRGZWJWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O2/c1-27-18-11-12-28(22(29)15-9-5-6-10-17(15)23)13-16(18)19(25-27)21-24-20(26-30-21)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3.
What are the key properties of (2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
(2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 419.87 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 53018498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).