4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

C26H26FN5O — CID 118059934

IUPAC4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2c(-c3ccc4[nH]ncc4c3)cn(CC3(F)CCCCC3)c2c1
InChIInChI=1S/C26H26FN5O/c1-16-24(17(2)33-31-16)20-11-23-25(28-12-20)21(18-6-7-22-19(10-18)13-29-30-22)14-32(23)15-26(27)8-4-3-5-9-26/h6-7,10-14H,3-5,8-9,15H2,1-2H3,(H,29,30)
InChIKeySEVIQTQXSBQFGI-UHFFFAOYSA-N
MW443.53 g/mol
LogP6.52
Rot. Bonds4

About 4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 118059934) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID118059934
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2c(-c3ccc4[nH]ncc4c3)cn(CC3(F)CCCCC3)c2c1
InChIInChI=1S/C26H26FN5O/c1-16-24(17(2)33-31-16)20-11-23-25(28-12-20)21(18-6-7-22-19(10-18)13-29-30-22)14-32(23)15-26(27)8-4-3-5-9-26/h6-7,10-14H,3-5,8-9,15H2,1-2H3,(H,29,30)
InChIKeySEVIQTQXSBQFGI-UHFFFAOYSA-N
XLogP6.52
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole 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

5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)isoxazole
CID 25165081
US11472802, Example 71
CID 139341981
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide
CID 155522505
3-[difluoro(quinolin-6-yl)methyl]-5-(1H-pyrazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine
CID 57690956
3,5-dimethyl-4-[3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]isoxazole
CID 81689821
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 86282555
4-[1-[(4,4-Difluorocyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 90448949
4-[1-[(1-Fluorocyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 90448951
4-[1-[(4,4-Difluorocyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 90448974
3,5-dimethyl-4-[1-(1-phenylethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyrrolo[3,2-b]pyridin-6-yl]isoxazole
CID 90448976
(4,4-Difluorocyclohexyl)-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone
CID 90449009
4-[1-(2-Fluoro-1-phenyl-ethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628221

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 118059934) is 4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cnc2c(-c3ccc4[nH]ncc4c3)cn(CC3(F)CCCCC3)c2c1.
What is the InChIKey of 4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is SEVIQTQXSBQFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-16-24(17(2)33-31-16)20-11-23-25(28-12-20)21(18-6-7-22-19(10-18)13-29-30-22)14-32(23)15-26(27)8-4-3-5-9-26/h6-7,10-14H,3-5,8-9,15H2,1-2H3,(H,29,30).
What are the key properties of 4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 443.53 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 118059934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).