[(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone

C20H15FN4O2 — CID 178095087

IUPAC[(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
SMILESO=C(c1cc2ccc(-c3cnco3)nc2[nH]1)N1CC[C@@H]1c1ccccc1F
InChIInChI=1S/C20H15FN4O2/c21-14-4-2-1-3-13(14)17-7-8-25(17)20(26)16-9-12-5-6-15(23-19(12)24-16)18-10-22-11-27-18/h1-6,9-11,17H,7-8H2,(H,23,24)/t17-/m1/s1
InChIKeyKMOBTZUGMFYZPT-QGZVFWFLSA-N
MW362.36 g/mol
LogP3.94
Rot. Bonds3

About [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone

[(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone (PubChem CID 178095087) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
PubChem CID178095087
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name[(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
SMILESO=C(c1cc2ccc(-c3cnco3)nc2[nH]1)N1CC[C@@H]1c1ccccc1F
InChIInChI=1S/C20H15FN4O2/c21-14-4-2-1-3-13(14)17-7-8-25(17)20(26)16-9-12-5-6-15(23-19(12)24-16)18-10-22-11-27-18/h1-6,9-11,17H,7-8H2,(H,23,24)/t17-/m1/s1
InChIKeyKMOBTZUGMFYZPT-QGZVFWFLSA-N
XLogP3.94
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-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-(Oxazol-5-yl)-3-(4-piperidin-1-ylmethyl-phenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole
CID 58266579
2-(4-(Oxazol-5-yl)phenyl)-1H-benzo[d]imidazole-4-carboxamide
CID 44541922
3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 24985874
4-(dimethylamino)-N-[3-(1,3-oxazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
CID 127045880
N-[(1R)-3-amino-3-oxo-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]propyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 24861177
methyl 6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxylate
CID 59362359
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]pyridine-3-carboxamide
CID 59362448
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-fluoroazetidin-1-yl)methanone
CID 70798610
N-(3-(5-(oxazol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)methacrylamide
CID 89630021
2-methyl-N-[3-[5-(1,3-oxazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 89630043
[(3R)-1-[2-[3-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 117966313
prop-2-enyl (3R)-3-[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]propanoate
CID 123869978

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The IUPAC name of [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone (CID 178095087) is [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone.
What is the SMILES notation for [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The canonical SMILES for [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone is O=C(c1cc2ccc(-c3cnco3)nc2[nH]1)N1CC[C@@H]1c1ccccc1F.
What is the InChIKey of [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The InChIKey is KMOBTZUGMFYZPT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H15FN4O2/c21-14-4-2-1-3-13(14)17-7-8-25(17)20(26)16-9-12-5-6-15(23-19(12)24-16)18-10-22-11-27-18/h1-6,9-11,17H,7-8H2,(H,23,24)/t17-/m1/s1.
What are the key properties of [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
[(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone has a molecular weight of 362.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone is sourced from PubChem (CID 178095087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).