4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid

C25H24N4O3 — CID 160526994

IUPAC4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid
SMILESCc1noc(C)c1-c1cnc2c(c1)c(-c1ccnc(C(=O)O)c1)cn2C(C1CC1)C1CC1
InChIInChI=1S/C25H24N4O3/c1-13-22(14(2)32-28-13)18-9-19-20(17-7-8-26-21(10-17)25(30)31)12-29(24(19)27-11-18)23(15-3-4-15)16-5-6-16/h7-12,15-16,23H,3-6H2,1-2H3,(H,30,31)
InChIKeyQVAPSPMESHIBBH-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.43
Rot. Bonds6

About 4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid

4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid (PubChem CID 160526994) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid
PubChem CID160526994
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid
SMILESCc1noc(C)c1-c1cnc2c(c1)c(-c1ccnc(C(=O)O)c1)cn2C(C1CC1)C1CC1
InChIInChI=1S/C25H24N4O3/c1-13-22(14(2)32-28-13)18-9-19-20(17-7-8-26-21(10-17)25(30)31)12-29(24(19)27-11-18)23(15-3-4-15)16-5-6-16/h7-12,15-16,23H,3-6H2,1-2H3,(H,30,31)
InChIKeyQVAPSPMESHIBBH-UHFFFAOYSA-N
XLogP5.43
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid 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

4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-3-(2,2-difluoroethoxy)benzoic acid
CID 160665905
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxylic acid
CID 166784118
3-[1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 159415791
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzoic acid
CID 159533614
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-3,5-dipropoxybenzoic acid
CID 166784124
4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-3-propan-2-yloxybenzoic acid
CID 161499794
[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1,1-dioxothian-4-yl)methanone
CID 118069535
3-chloro-5-cyclopropyloxy-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 159913327
4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide
CID 134344637
3-chloro-4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-5-cyclobutyloxybenzoic acid
CID 159899552
2-chloro-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid
CID 118060012
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid
CID 118059817

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid (CID 160526994) is 4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid is Cc1noc(C)c1-c1cnc2c(c1)c(-c1ccnc(C(=O)O)c1)cn2C(C1CC1)C1CC1.
What is the InChIKey of 4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid?
The InChIKey is QVAPSPMESHIBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-13-22(14(2)32-28-13)18-9-19-20(17-7-8-26-21(10-17)25(30)31)12-29(24(19)27-11-18)23(15-3-4-15)16-5-6-16/h7-12,15-16,23H,3-6H2,1-2H3,(H,30,31).
What are the key properties of 4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid?
4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid has a molecular weight of 428.49 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dicyclopropylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 160526994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).