4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide

C24H21F2N5O — CID 134327863

IUPAC4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2n[nH]c3cnc(-c4c(F)cc5c(c4F)C(NC)CC5)cc23)cc1
InChIInChI=1S/C24H21F2N5O/c1-27-17-8-7-14-9-16(25)21(22(26)20(14)17)18-10-15-19(11-29-18)30-31-23(15)12-3-5-13(6-4-12)24(32)28-2/h3-6,9-11,17,27H,7-8H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyKQGVMRRWGQTBIA-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.14
Rot. Bonds4

About 4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide

4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide (PubChem CID 134327863) has the molecular formula C24H21F2N5O and a molecular weight of 433.46 g/mol. Its IUPAC name is 4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide
PubChem CID134327863
Molecular FormulaC24H21F2N5O
Molecular Weight433.46 g/mol
Exact Mass433.17
IUPAC Name4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2n[nH]c3cnc(-c4c(F)cc5c(c4F)C(NC)CC5)cc23)cc1
InChIInChI=1S/C24H21F2N5O/c1-27-17-8-7-14-9-16(25)21(22(26)20(14)17)18-10-15-19(11-29-18)30-31-23(15)12-3-5-13(6-4-12)24(32)28-2/h3-6,9-11,17,27H,7-8H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyKQGVMRRWGQTBIA-UHFFFAOYSA-N
XLogP4.14
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide?
The IUPAC name of 4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide (CID 134327863) is 4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide?
The canonical SMILES for 4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2n[nH]c3cnc(-c4c(F)cc5c(c4F)C(NC)CC5)cc23)cc1.
What is the InChIKey of 4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide?
The InChIKey is KQGVMRRWGQTBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O/c1-27-17-8-7-14-9-16(25)21(22(26)20(14)17)18-10-15-19(11-29-18)30-31-23(15)12-3-5-13(6-4-12)24(32)28-2/h3-6,9-11,17,27H,7-8H2,1-2H3,(H,28,32)(H,30,31).
What are the key properties of 4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide?
4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide has a molecular weight of 433.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4,6-difluoro-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 134327863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).