N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide

C17H19F2N5O — CID 158874366

IUPACN-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide
SMILESCc1ncc(-c2ccc3[nH]nc(C(=O)N[C@@H](C)C(C)(F)F)c3c2)n1C
InChIInChI=1S/C17H19F2N5O/c1-9(17(3,18)19)21-16(25)15-12-7-11(5-6-13(12)22-23-15)14-8-20-10(2)24(14)4/h5-9H,1-4H3,(H,21,25)(H,22,23)/t9-/m0/s1
InChIKeyWKTBINDFBUCZQX-VIFPVBQESA-N
MW347.37 g/mol
LogP3.05
Rot. Bonds4

About N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide

N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 158874366) has the molecular formula C17H19F2N5O and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID158874366
Molecular FormulaC17H19F2N5O
Molecular Weight347.37 g/mol
Exact Mass347.16
IUPAC NameN-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide
SMILESCc1ncc(-c2ccc3[nH]nc(C(=O)N[C@@H](C)C(C)(F)F)c3c2)n1C
InChIInChI=1S/C17H19F2N5O/c1-9(17(3,18)19)21-16(25)15-12-7-11(5-6-13(12)22-23-15)14-8-20-10(2)24(14)4/h5-9H,1-4H3,(H,21,25)(H,22,23)/t9-/m0/s1
InChIKeyWKTBINDFBUCZQX-VIFPVBQESA-N
XLogP3.05
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 158269993
5-(2,3-dimethylimidazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 139431435
5-(2,3-dimethylimidazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
CID 139448036
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 137111808
N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 167981258
N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide
CID 60589476
N-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431447
5-[5-[(3,3-difluoroazetidin-1-yl)methyl]-3-pyridinyl]-N-propan-2-yl-1H-indazole-3-carboxamide
CID 118382092
N-(1-methylpiperidin-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indazole-3-carboxamide
CID 139431459
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
CID 67273538
N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 86971927

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide (CID 158874366) is N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide is Cc1ncc(-c2ccc3[nH]nc(C(=O)N[C@@H](C)C(C)(F)F)c3c2)n1C.
What is the InChIKey of N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is WKTBINDFBUCZQX-VIFPVBQESA-N. The full InChI is InChI=1S/C17H19F2N5O/c1-9(17(3,18)19)21-16(25)15-12-7-11(5-6-13(12)22-23-15)14-8-20-10(2)24(14)4/h5-9H,1-4H3,(H,21,25)(H,22,23)/t9-/m0/s1.
What are the key properties of N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide?
N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 158874366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).