1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide

C23H20F3N5O4 — CID 71009707

IUPAC1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)F)c2F)c2ccccc12
InChIInChI=1S/C23H20F3N5O4/c24-19-13(5-3-7-17(19)35-23(25)26)28-22(34)16-9-11-8-15(11)31(16)18(32)10-30-14-6-2-1-4-12(14)20(29-30)21(27)33/h1-7,11,15-16,23H,8-10H2,(H2,27,33)(H,28,34)/t11-,15-,16+/m1/s1
InChIKeyNOHKTMOEVRMVLG-LYRGGWFBSA-N
MW487.44 g/mol
LogP2.50
Rot. Bonds7

About 1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide

1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 71009707) has the molecular formula C23H20F3N5O4 and a molecular weight of 487.44 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID71009707
Molecular FormulaC23H20F3N5O4
Molecular Weight487.44 g/mol
Exact Mass487.15
IUPAC Name1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)F)c2F)c2ccccc12
InChIInChI=1S/C23H20F3N5O4/c24-19-13(5-3-7-17(19)35-23(25)26)28-22(34)16-9-11-8-15(11)31(16)18(32)10-30-14-6-2-1-4-12(14)20(29-30)21(27)33/h1-7,11,15-16,23H,8-10H2,(H2,27,33)(H,28,34)/t11-,15-,16+/m1/s1
InChIKeyNOHKTMOEVRMVLG-LYRGGWFBSA-N
XLogP2.50
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (CID 71009707) is 1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)F)c2F)c2ccccc12.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is NOHKTMOEVRMVLG-LYRGGWFBSA-N. The full InChI is InChI=1S/C23H20F3N5O4/c24-19-13(5-3-7-17(19)35-23(25)26)28-22(34)16-9-11-8-15(11)31(16)18(32)10-30-14-6-2-1-4-12(14)20(29-30)21(27)33/h1-7,11,15-16,23H,8-10H2,(H2,27,33)(H,28,34)/t11-,15-,16+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 487.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 71009707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).