N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide

C16H15ClF3N3O2 — CID 138580388

IUPACN-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12
InChIInChI=1S/C16H15ClF3N3O2/c17-7-1-11(10-6-21-23-12(10)2-7)15(25)3-8-9(4-15)14(8)22-13(24)5-16(18,19)20/h1-2,6,8-9,14,25H,3-5H2,(H,21,23)(H,22,24)/t8-,9+,14?,15?
InChIKeySEQCIEBMHXHFGK-QRPANZHUSA-N
MW373.76 g/mol
LogP2.88
Rot. Bonds3

About N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide

N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide (PubChem CID 138580388) has the molecular formula C16H15ClF3N3O2 and a molecular weight of 373.76 g/mol. Its IUPAC name is N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide
PubChem CID138580388
Molecular FormulaC16H15ClF3N3O2
Molecular Weight373.76 g/mol
Exact Mass373.08
IUPAC NameN-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12
InChIInChI=1S/C16H15ClF3N3O2/c17-7-1-11(10-6-21-23-12(10)2-7)15(25)3-8-9(4-15)14(8)22-13(24)5-16(18,19)20/h1-2,6,8-9,14,25H,3-5H2,(H,21,23)(H,22,24)/t8-,9+,14?,15?
InChIKeySEQCIEBMHXHFGK-QRPANZHUSA-N
XLogP2.88
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide (CID 138580388) is N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12.
What is the InChIKey of N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide?
The InChIKey is SEQCIEBMHXHFGK-QRPANZHUSA-N. The full InChI is InChI=1S/C16H15ClF3N3O2/c17-7-1-11(10-6-21-23-12(10)2-7)15(25)3-8-9(4-15)14(8)22-13(24)5-16(18,19)20/h1-2,6,8-9,14,25H,3-5H2,(H,21,23)(H,22,24)/t8-,9+,14?,15?.
What are the key properties of N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide?
N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide has a molecular weight of 373.76 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 138580388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).