(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone

C25H23FN4O3 — CID 139208107

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)c4c(C)noc4C)CC3)cc12
InChIInChI=1S/C25H23FN4O3/c1-14-23(15(2)33-29-14)25(31)30-10-7-16(8-11-30)21-13-20-18(6-9-27-24(20)28-21)19-12-17(26)4-5-22(19)32-3/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,27,28)
InChIKeyQDWNDRUEFUKTJR-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.91
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 139208107) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID139208107
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)c4c(C)noc4C)CC3)cc12
InChIInChI=1S/C25H23FN4O3/c1-14-23(15(2)33-29-14)25(31)30-10-7-16(8-11-30)21-13-20-18(6-9-27-24(20)28-21)19-12-17(26)4-5-22(19)32-3/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,27,28)
InChIKeyQDWNDRUEFUKTJR-UHFFFAOYSA-N
XLogP4.91
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

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Related Compounds

2-(5-(3-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-7-carbonyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 25030803
(3-(2,4-difluorophenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl)(6-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
CID 44426971
4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 81689869
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]urea
CID 135271569
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 3233156
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 3234883
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 3235123
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 3235215
1-[4-[4-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 168275683
2-[4-[4-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 168285108
N-[4-[4-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohexyl]acetamide
CID 168296382
1-[4-[4-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 168296799

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 139208107) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)c4c(C)noc4C)CC3)cc12.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is QDWNDRUEFUKTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-14-23(15(2)33-29-14)25(31)30-10-7-16(8-11-30)21-13-20-18(6-9-27-24(20)28-21)19-12-17(26)4-5-22(19)32-3/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,27,28).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 446.48 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 139208107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).