N-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide

C25H22FN3O — CID 134567147

IUPACN-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide
SMILESCc1ccc(-c2n[nH]c3ccc(C(=O)NC(c4ccccc4F)C4CC4)cc23)cc1
InChIInChI=1S/C25H22FN3O/c1-15-6-8-17(9-7-15)24-20-14-18(12-13-22(20)28-29-24)25(30)27-23(16-10-11-16)19-4-2-3-5-21(19)26/h2-9,12-14,16,23H,10-11H2,1H3,(H,27,30)(H,28,29)
InChIKeyOJDMJLCHUYVOBI-UHFFFAOYSA-N
MW399.47 g/mol
LogP5.56
Rot. Bonds5

About N-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide

N-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide (PubChem CID 134567147) has the molecular formula C25H22FN3O and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide
PubChem CID134567147
Molecular FormulaC25H22FN3O
Molecular Weight399.47 g/mol
Exact Mass399.17
IUPAC NameN-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide
SMILESCc1ccc(-c2n[nH]c3ccc(C(=O)NC(c4ccccc4F)C4CC4)cc23)cc1
InChIInChI=1S/C25H22FN3O/c1-15-6-8-17(9-7-15)24-20-14-18(12-13-22(20)28-29-24)25(30)27-23(16-10-11-16)19-4-2-3-5-21(19)26/h2-9,12-14,16,23H,10-11H2,1H3,(H,27,30)(H,28,29)
InChIKeyOJDMJLCHUYVOBI-UHFFFAOYSA-N
XLogP5.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.47
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide (CID 134567147) is N-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide is Cc1ccc(-c2n[nH]c3ccc(C(=O)NC(c4ccccc4F)C4CC4)cc23)cc1.
What is the InChIKey of N-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide?
The InChIKey is OJDMJLCHUYVOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O/c1-15-6-8-17(9-7-15)24-20-14-18(12-13-22(20)28-29-24)25(30)27-23(16-10-11-16)19-4-2-3-5-21(19)26/h2-9,12-14,16,23H,10-11H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide?
N-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 134567147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).