N-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide

C27H33F2N5O2 — CID 165437183

IUPACN-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CCC(CCN4C[C@@H]5C[C@]5(c5cc(C(C)(F)F)on5)C4)CC3)cccc2n1
InChIInChI=1S/C27H33F2N5O2/c1-26(28,29)24-12-23(32-36-24)27-13-18(27)14-34(16-27)11-10-17-6-8-19(9-7-17)30-25(35)20-4-3-5-22-21(20)15-33(2)31-22/h3-5,12,15,17-19H,6-11,13-14,16H2,1-2H3,(H,30,35)/t17?,18-,19?,27-/m0/s1
InChIKeyWDIQJDYEIWJBCZ-CNHUTHRTSA-N
MW497.59 g/mol
LogP4.63
Rot. Bonds7

About N-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide

N-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide (PubChem CID 165437183) has the molecular formula C27H33F2N5O2 and a molecular weight of 497.59 g/mol. Its IUPAC name is N-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
PubChem CID165437183
Molecular FormulaC27H33F2N5O2
Molecular Weight497.59 g/mol
Exact Mass497.26
IUPAC NameN-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CCC(CCN4C[C@@H]5C[C@]5(c5cc(C(C)(F)F)on5)C4)CC3)cccc2n1
InChIInChI=1S/C27H33F2N5O2/c1-26(28,29)24-12-23(32-36-24)27-13-18(27)14-34(16-27)11-10-17-6-8-19(9-7-17)30-25(35)20-4-3-5-22-21(20)15-33(2)31-22/h3-5,12,15,17-19H,6-11,13-14,16H2,1-2H3,(H,30,35)/t17?,18-,19?,27-/m0/s1
InChIKeyWDIQJDYEIWJBCZ-CNHUTHRTSA-N
XLogP4.63
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide with MolForge

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Related Compounds

N-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138670504
N-[4-[2-[4-[5,5-difluoropentan-2-yl(methyl)amino]-5-methyl-2,3,6,7-tetrahydroazepin-1-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 155347234
N-[4-[2-[2-(2-fluoro-2-methylpropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138671501
N-[4-[2-[2-(cyclopropylmethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138671181
N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138670655
N-[(1R,3R)-3-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclopentyl]-2-methylindazole-4-carboxamide
CID 138671634
methyl 3-[1-[2-[4-[(2-methylindazole-4-carbonyl)amino]cyclohexyl]ethyl]-2,3,6,7-tetrahydroazepin-4-yl]propanimidate
CID 155347263
N-[6-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]-2-methylindazole-4-carboxamide
CID 155347204
N-[4-[2-[(3aR,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138670641
N-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide
CID 163382233
N-[4-[2-[(3aS)-2-phenyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 145451582
2-[4-[2-[2-(2-cyclopropyl-1,1-difluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone
CID 147878710

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
The IUPAC name of N-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide (CID 165437183) is N-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
The canonical SMILES for N-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide is Cn1cc2c(C(=O)NC3CCC(CCN4C[C@@H]5C[C@]5(c5cc(C(C)(F)F)on5)C4)CC3)cccc2n1.
What is the InChIKey of N-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
The InChIKey is WDIQJDYEIWJBCZ-CNHUTHRTSA-N. The full InChI is InChI=1S/C27H33F2N5O2/c1-26(28,29)24-12-23(32-36-24)27-13-18(27)14-34(16-27)11-10-17-6-8-19(9-7-17)30-25(35)20-4-3-5-22-21(20)15-33(2)31-22/h3-5,12,15,17-19H,6-11,13-14,16H2,1-2H3,(H,30,35)/t17?,18-,19?,27-/m0/s1.
What are the key properties of N-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
N-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide has a molecular weight of 497.59 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide is sourced from PubChem (CID 165437183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).