N-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide

C27H34FN5O2 — CID 165437187

IUPACN-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide
SMILESCCc1cc([C@]23C[C@H]2CN(CCC2CCC(NC(=O)c4ccc(F)c5nn(C)cc45)CC2)C3)no1
InChIInChI=1S/C27H34FN5O2/c1-3-20-12-24(31-35-20)27-13-18(27)14-33(16-27)11-10-17-4-6-19(7-5-17)29-26(34)21-8-9-23(28)25-22(21)15-32(2)30-25/h8-9,12,15,17-19H,3-7,10-11,13-14,16H2,1-2H3,(H,29,34)/t17?,18-,19?,27-/m0/s1
InChIKeyCUHXIEXGYANARS-CNHUTHRTSA-N
MW479.60 g/mol
LogP4.22
Rot. Bonds7

About N-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide

N-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide (PubChem CID 165437187) has the molecular formula C27H34FN5O2 and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide
PubChem CID165437187
Molecular FormulaC27H34FN5O2
Molecular Weight479.60 g/mol
Exact Mass479.27
IUPAC NameN-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide
SMILESCCc1cc([C@]23C[C@H]2CN(CCC2CCC(NC(=O)c4ccc(F)c5nn(C)cc45)CC2)C3)no1
InChIInChI=1S/C27H34FN5O2/c1-3-20-12-24(31-35-20)27-13-18(27)14-33(16-27)11-10-17-4-6-19(7-5-17)29-26(34)21-8-9-23(28)25-22(21)15-32(2)30-25/h8-9,12,15,17-19H,3-7,10-11,13-14,16H2,1-2H3,(H,29,34)/t17?,18-,19?,27-/m0/s1
InChIKeyCUHXIEXGYANARS-CNHUTHRTSA-N
XLogP4.22
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide?
The IUPAC name of N-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide (CID 165437187) is N-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide?
The canonical SMILES for N-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide is CCc1cc([C@]23C[C@H]2CN(CCC2CCC(NC(=O)c4ccc(F)c5nn(C)cc45)CC2)C3)no1.
What is the InChIKey of N-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide?
The InChIKey is CUHXIEXGYANARS-CNHUTHRTSA-N. The full InChI is InChI=1S/C27H34FN5O2/c1-3-20-12-24(31-35-20)27-13-18(27)14-33(16-27)11-10-17-4-6-19(7-5-17)29-26(34)21-8-9-23(28)25-22(21)15-32(2)30-25/h8-9,12,15,17-19H,3-7,10-11,13-14,16H2,1-2H3,(H,29,34)/t17?,18-,19?,27-/m0/s1.
What are the key properties of N-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide?
N-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 4.22, 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-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide is sourced from PubChem (CID 165437187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).