1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide

C21H29F2N3O — CID 143855601

IUPAC1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide
SMILESCC(NC(=O)c1nn(CC2CCC(F)(F)CC2)c2ccccc12)C(C)(C)C
InChIInChI=1S/C21H29F2N3O/c1-14(20(2,3)4)24-19(27)18-16-7-5-6-8-17(16)26(25-18)13-15-9-11-21(22,23)12-10-15/h5-8,14-15H,9-13H2,1-4H3,(H,24,27)
InChIKeyHOENZUODPKLCEU-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.03
Rot. Bonds4

About 1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide

1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide (PubChem CID 143855601) has the molecular formula C21H29F2N3O and a molecular weight of 377.48 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide
PubChem CID143855601
Molecular FormulaC21H29F2N3O
Molecular Weight377.48 g/mol
Exact Mass377.23
IUPAC Name1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide
SMILESCC(NC(=O)c1nn(CC2CCC(F)(F)CC2)c2ccccc12)C(C)(C)C
InChIInChI=1S/C21H29F2N3O/c1-14(20(2,3)4)24-19(27)18-16-7-5-6-8-17(16)26(25-18)13-15-9-11-21(22,23)12-10-15/h5-8,14-15H,9-13H2,1-4H3,(H,24,27)
InChIKeyHOENZUODPKLCEU-UHFFFAOYSA-N
XLogP5.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4,4-difluorocyclohexyl)methyl]-N-[1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
CID 70969737
3,3-dimethyl-2-[[1-(oxan-4-ylmethyl)indazole-3-carbonyl]amino]butanoic acid
CID 70969926
N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide
CID 121491668
7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide
CID 143855399
(2S,3R)-2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanedioic acid
CID 125181319
1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
CID 167312295
2-[[(2S)-2-[[1-[(4,4-difluorocyclohexyl)methyl]-7-fluoroindazole-3-carbonyl]amino]-3,3-dimethylbutanoyl]amino]acetic acid
CID 68894011
N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide
CID 74951471
(2R,3R)-4-amino-3-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2-methyl-4-oxobutanoic acid
CID 125181267
1-(cyclohexylmethyl)-N-[1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]indazole-3-carboxamide
CID 70969654
N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-1-(oxan-4-ylmethyl)indazole-3-carboxamide
CID 68893852
ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate
CID 70969672

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide (CID 143855601) is 1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide is CC(NC(=O)c1nn(CC2CCC(F)(F)CC2)c2ccccc12)C(C)(C)C.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide?
The InChIKey is HOENZUODPKLCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F2N3O/c1-14(20(2,3)4)24-19(27)18-16-7-5-6-8-17(16)26(25-18)13-15-9-11-21(22,23)12-10-15/h5-8,14-15H,9-13H2,1-4H3,(H,24,27).
What are the key properties of 1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide?
1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide has a molecular weight of 377.48 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide is sourced from PubChem (CID 143855601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).