N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C27H23ClN4O3 — CID 55777328

IUPACN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C27H23ClN4O3/c28-18-10-11-21(19(14-18)27(34)32-12-4-5-13-32)29-25(33)20-15-22(16-8-9-16)30-26-23(20)24(31-35-26)17-6-2-1-3-7-17/h1-3,6-7,10-11,14-16H,4-5,8-9,12-13H2,(H,29,33)
InChIKeyFBTRJTPIBSGARO-UHFFFAOYSA-N
MW486.96 g/mol
LogP5.91
Rot. Bonds5

About N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55777328) has the molecular formula C27H23ClN4O3 and a molecular weight of 486.96 g/mol. Its IUPAC name is N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55777328
Molecular FormulaC27H23ClN4O3
Molecular Weight486.96 g/mol
Exact Mass486.15
IUPAC NameN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C27H23ClN4O3/c28-18-10-11-21(19(14-18)27(34)32-12-4-5-13-32)29-25(33)20-15-22(16-8-9-16)30-26-23(20)24(31-35-26)17-6-2-1-3-7-17/h1-3,6-7,10-11,14-16H,4-5,8-9,12-13H2,(H,29,33)
InChIKeyFBTRJTPIBSGARO-UHFFFAOYSA-N
XLogP5.91
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.96
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315355
N-cyclopropyl-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxamide
CID 55903387
[6-cyclopropyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 171315535
6-cyclopropyl-3-phenyl-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315419
(3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 125149055
azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 171315394
(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922606
N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315198
6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55756409
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56501689
4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 119357870
[6-cyclopropyl-3-(furan-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 51081112

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55777328) is N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12.
What is the InChIKey of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FBTRJTPIBSGARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4O3/c28-18-10-11-21(19(14-18)27(34)32-12-4-5-13-32)29-25(33)20-15-22(16-8-9-16)30-26-23(20)24(31-35-26)17-6-2-1-3-7-17/h1-3,6-7,10-11,14-16H,4-5,8-9,12-13H2,(H,29,33).
What are the key properties of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 486.96 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55777328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).