4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide

C28H17F3N6O2 — CID 46183696

IUPAC4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide
SMILESCc1cccc2c(-c3nc4c(cc3F)c(NC(=O)c3ccc(F)cc3)nn4C(=O)c3ccc(F)cc3)cnn12
InChIInChI=1S/C28H17F3N6O2/c1-15-3-2-4-23-21(14-32-36(15)23)24-22(31)13-20-25(34-27(38)16-5-9-18(29)10-6-16)35-37(26(20)33-24)28(39)17-7-11-19(30)12-8-17/h2-14H,1H3,(H,34,35,38)
InChIKeyWWIVICSCKOPCOK-UHFFFAOYSA-N
MW526.48 g/mol
LogP5.41
Rot. Bonds4

About 4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide

4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide (PubChem CID 46183696) has the molecular formula C28H17F3N6O2 and a molecular weight of 526.48 g/mol. Its IUPAC name is 4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide
PubChem CID46183696
Molecular FormulaC28H17F3N6O2
Molecular Weight526.48 g/mol
Exact Mass526.14
IUPAC Name4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide
SMILESCc1cccc2c(-c3nc4c(cc3F)c(NC(=O)c3ccc(F)cc3)nn4C(=O)c3ccc(F)cc3)cnn12
InChIInChI=1S/C28H17F3N6O2/c1-15-3-2-4-23-21(14-32-36(15)23)24-22(31)13-20-25(34-27(38)16-5-9-18(29)10-6-16)35-37(26(20)33-24)28(39)17-7-11-19(30)12-8-17/h2-14H,1H3,(H,34,35,38)
InChIKeyWWIVICSCKOPCOK-UHFFFAOYSA-N
XLogP5.41
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide 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-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide
CID 46183699
N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide
CID 70259320
1-O-tert-butyl 5-O-methyl 3-[(4-fluorobenzoyl)amino]indazole-1,5-dicarboxylate
CID 122584383
5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-methylpyridine-4-carboxamide
CID 162512236
1-ethoxycarbonyl-3-[(4-fluorobenzoyl)amino]thieno[3,2-d]pyrazole-5-carboxylic acid
CID 66786776
ethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide
CID 143953056
N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide
CID 900701
(4-fluorophenyl)-[5-(2-fluorophenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]methanone
CID 42730347
N-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide
CID 171559398
4-fluoro-N-(7-propan-2-yl-1-prop-2-ynylindazol-3-yl)benzamide
CID 171559422
1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide
CID 76852283
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide (CID 46183696) is 4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide is Cc1cccc2c(-c3nc4c(cc3F)c(NC(=O)c3ccc(F)cc3)nn4C(=O)c3ccc(F)cc3)cnn12.
What is the InChIKey of 4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide?
The InChIKey is WWIVICSCKOPCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17F3N6O2/c1-15-3-2-4-23-21(14-32-36(15)23)24-22(31)13-20-25(34-27(38)16-5-9-18(29)10-6-16)35-37(26(20)33-24)28(39)17-7-11-19(30)12-8-17/h2-14H,1H3,(H,34,35,38).
What are the key properties of 4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide?
4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide has a molecular weight of 526.48 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 46183696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).