(4R,5R)-1-(4-fluorophenyl)-4-methyl-N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide

C26H34FN3O — CID 66862293

IUPAC(4R,5R)-1-(4-fluorophenyl)-4-methyl-N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2
InChIInChI=1S/C26H34FN3O/c1-16(2)14-29(15-17(3)4)26(31)22-11-6-19-12-24-23(18(5)25(19)22)13-28-30(24)21-9-7-20(27)8-10-21/h7-10,13,16-18,22H,6,11-12,14-15H2,1-5H3/t18-,22+/m0/s1
InChIKeyYUNVMMPQOQWRSV-PGRDOPGGSA-N
MW423.58 g/mol
LogP5.52
Rot. Bonds6

About (4R,5R)-1-(4-fluorophenyl)-4-methyl-N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide

(4R,5R)-1-(4-fluorophenyl)-4-methyl-N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide (PubChem CID 66862293) has the molecular formula C26H34FN3O and a molecular weight of 423.58 g/mol. Its IUPAC name is (4R,5R)-1-(4-fluorophenyl)-4-methyl-N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide.

Molecular Properties

Compound Name(4R,5R)-1-(4-fluorophenyl)-4-methyl-N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
PubChem CID66862293
Molecular FormulaC26H34FN3O
Molecular Weight423.58 g/mol
Exact Mass423.27
IUPAC Name(4R,5R)-1-(4-fluorophenyl)-4-methyl-N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2
InChIInChI=1S/C26H34FN3O/c1-16(2)14-29(15-17(3)4)26(31)22-11-6-19-12-24-23(18(5)25(19)22)13-28-30(24)21-9-7-20(27)8-10-21/h7-10,13,16-18,22H,6,11-12,14-15H2,1-5H3/t18-,22+/m0/s1
InChIKeyYUNVMMPQOQWRSV-PGRDOPGGSA-N
XLogP5.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R,5R)-1-(4-fluorophenyl)-N-[(2R)-2-methoxypropyl]-N,4-dimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
CID 66862168
(4R,5R)-N-ethyl-1-(4-fluorophenyl)-4-methyl-N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
CID 66863012
(4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
CID 66861776
(4R,5R)-1-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
CID 66861879
(4R,5R)-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-N-[(3,4,5-trifluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
CID 66861782
(4R,5R)-N-[2-(1-benzofuran-3-yl)-2-oxoethyl]-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
CID 66862715
(4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
CID 66861362
[4-(benzenesulfonyl)piperidin-1-yl]-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methanone
CID 66862513
2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxy-2-pyridin-4-ylethyl)ethanesulfonamide
CID 67198822
[(2S)-1-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl-(2,2,2-trifluoroethylsulfonyl)amino]propan-2-yl] 2,2,2-trifluoroethanesulfonate
CID 87306853
N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]butan-2-yl]pyridine-4-carboxamide
CID 68757022
N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2R)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 67200214

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-(4-fluorophenyl)-4-methyl-N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?
The IUPAC name of (4R,5R)-1-(4-fluorophenyl)-4-methyl-N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide (CID 66862293) is (4R,5R)-1-(4-fluorophenyl)-4-methyl-N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide.
What is the SMILES notation for (4R,5R)-1-(4-fluorophenyl)-4-methyl-N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?
The canonical SMILES for (4R,5R)-1-(4-fluorophenyl)-4-methyl-N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide is CC(C)CN(CC(C)C)C(=O)[C@@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2.
What is the InChIKey of (4R,5R)-1-(4-fluorophenyl)-4-methyl-N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?
The InChIKey is YUNVMMPQOQWRSV-PGRDOPGGSA-N. The full InChI is InChI=1S/C26H34FN3O/c1-16(2)14-29(15-17(3)4)26(31)22-11-6-19-12-24-23(18(5)25(19)22)13-28-30(24)21-9-7-20(27)8-10-21/h7-10,13,16-18,22H,6,11-12,14-15H2,1-5H3/t18-,22+/m0/s1.
What are the key properties of (4R,5R)-1-(4-fluorophenyl)-4-methyl-N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?
(4R,5R)-1-(4-fluorophenyl)-4-methyl-N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-(4-fluorophenyl)-4-methyl-N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide is sourced from PubChem (CID 66862293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).