6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H27FN4O2 — CID 166198929

IUPAC6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCN(CCN1CCCC1)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12
InChIInChI=1S/C23H27FN4O2/c1-3-10-28(14-13-27-11-6-7-12-27)23(29)18-15-20(17-8-4-5-9-19(17)24)25-22-21(18)16(2)26-30-22/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3
InChIKeyKOZUQIHYTKJJIF-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.29
Rot. Bonds7

About 6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166198929) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166198929
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCN(CCN1CCCC1)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12
InChIInChI=1S/C23H27FN4O2/c1-3-10-28(14-13-27-11-6-7-12-27)23(29)18-15-20(17-8-4-5-9-19(17)24)25-22-21(18)16(2)26-30-22/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3
InChIKeyKOZUQIHYTKJJIF-UHFFFAOYSA-N
XLogP4.29
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25467427
6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43066610
phenyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 24603258
6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46537576
7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide
CID 126801365
(3-aminopyrrolidin-1-yl)-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 75469373
2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 29406154
N-(cyclopropylmethyl)-6-(furan-2-yl)-3-methyl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51322778
6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24676739
6-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46696500
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(2-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42933313
6-cyclopropyl-N-(2-hydroxyethyl)-3-methyl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110887145

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 166198929) is 6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCCN(CCN1CCCC1)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12.
What is the InChIKey of 6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KOZUQIHYTKJJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-3-10-28(14-13-27-11-6-7-12-27)23(29)18-15-20(17-8-4-5-9-19(17)24)25-22-21(18)16(2)26-30-22/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3.
What are the key properties of 6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166198929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).