N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide

C15H11F2N3O — CID 63379684

IUPACN-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)c1ccc2cn[nH]c2c1
InChIInChI=1S/C15H11F2N3O/c16-12-3-4-13(17)11(5-12)7-18-15(21)9-1-2-10-8-19-20-14(10)6-9/h1-6,8H,7H2,(H,18,21)(H,19,20)
InChIKeyKTRKSMCUBQLKGG-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.77
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide

N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide (PubChem CID 63379684) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide
PubChem CID63379684
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)c1ccc2cn[nH]c2c1
InChIInChI=1S/C15H11F2N3O/c16-12-3-4-13(17)11(5-12)7-18-15(21)9-1-2-10-8-19-20-14(10)6-9/h1-6,8H,7H2,(H,18,21)(H,19,20)
InChIKeyKTRKSMCUBQLKGG-UHFFFAOYSA-N
XLogP2.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-1H-indazole-6-carboxamide
CID 62062398
N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341642
N-[(2,5-difluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107030045
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
CID 63227826
N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905804
N-(2-bromo-4-fluorophenyl)-1H-indazole-6-carboxamide
CID 62919566
N-[(4-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341632
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide
CID 114693720
N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide
CID 61242487
N-(4,4,4-trifluorobutyl)-1H-indazole-6-carboxamide
CID 79039225
N-(piperidin-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905604

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide (CID 63379684) is N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide is O=C(NCc1cc(F)ccc1F)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide?
The InChIKey is KTRKSMCUBQLKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c16-12-3-4-13(17)11(5-12)7-18-15(21)9-1-2-10-8-19-20-14(10)6-9/h1-6,8H,7H2,(H,18,21)(H,19,20).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide?
N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 63379684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).