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

C25H26FN5O2 — CID 53251656

IUPAC6-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2cc(F)ccc12)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)23-20-11-10-18(26)16-21(20)28-29-23/h3-11,14,16,19H,12-13,15H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyKDIPFPBEPHXVFD-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.54
Rot. Bonds8

About 6-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide

6-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 53251656) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide
PubChem CID53251656
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name6-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2cc(F)ccc12)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)23-20-11-10-18(26)16-21(20)28-29-23/h3-11,14,16,19H,12-13,15H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyKDIPFPBEPHXVFD-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 6-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

5-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide
CID 53251503
5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide
CID 67247491
3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
CID 67261664
5,7-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 123960490
4,6-dichloro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
CID 87324298
4,6-dichloro-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
CID 87329161
N,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide
CID 67262265
N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide
CID 53250073
N,2,5-trimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-3-carboxamide
CID 67260802
N-[3-[(3-imidazol-1-ylbenzoyl)-methylamino]-4-phenylbutyl]-1-methylpyrrole-2-carboxamide
CID 67246740
N,2,4-trimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide
CID 67262252
7-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]isoquinoline-4-carboxamide
CID 67247091

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide (CID 53251656) is 6-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide is CN(C(=O)c1n[nH]c2cc(F)ccc12)C(CCNC(=O)c1cccn1C)Cc1ccccc1.
What is the InChIKey of 6-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is KDIPFPBEPHXVFD-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)23-20-11-10-18(26)16-21(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 6-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide?
6-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 6-fluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 53251656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).