5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide

C25H26FN5O2 — CID 53251503

IUPAC5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2ccc(F)cc12)C(CCNC(=O)c1cccn1C)Cc1ccccc1
InChIInChI=1S/C25H26FN5O2/c1-30-14-6-9-22(30)24(32)27-13-12-19(15-17-7-4-3-5-8-17)31(2)25(33)23-20-16-18(26)10-11-21(20)28-29-23/h3-11,14,16,19H,12-13,15H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyDOTBEDQTWZSSJD-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.54
Rot. Bonds8

About 5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide

5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 53251503) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide
PubChem CID53251503
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2ccc(F)cc12)C(CCNC(=O)c1cccn1C)Cc1ccccc1
InChIInChI=1S/C25H26FN5O2/c1-30-14-6-9-22(30)24(32)27-13-12-19(15-17-7-4-3-5-8-17)31(2)25(33)23-20-16-18(26)10-11-21(20)28-29-23/h3-11,14,16,19H,12-13,15H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyDOTBEDQTWZSSJD-UHFFFAOYSA-N
XLogP3.54
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide 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 5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide (CID 53251503) is 5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide is CN(C(=O)c1n[nH]c2ccc(F)cc12)C(CCNC(=O)c1cccn1C)Cc1ccccc1.
What is the InChIKey of 5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is DOTBEDQTWZSSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-30-14-6-9-22(30)24(32)27-13-12-19(15-17-7-4-3-5-8-17)31(2)25(33)23-20-16-18(26)10-11-21(20)28-29-23/h3-11,14,16,19H,12-13,15H2,1-2H3,(H,27,32)(H,28,29).
What are the key properties of 5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide?
5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 53251503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).