N-[1-(3-chlorophenyl)-2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]ethyl]morpholine-4-carboxamide

About N-[1-(3-chlorophenyl)-2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]ethyl]morpholine-4-carboxamide

N-[1-(3-chlorophenyl)-2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]ethyl]morpholine-4-carboxamide (PubChem CID 68790499) has the molecular formula C30H32ClFN4O2 and a molecular weight of 535.06 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name	N-[1-(3-chlorophenyl)-2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]ethyl]morpholine-4-carboxamide
PubChem CID	68790499
Molecular Formula	C30H32ClFN4O2
Molecular Weight	535.06 g/mol
Exact Mass	534.22
IUPAC Name	N-[1-(3-chlorophenyl)-2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]ethyl]morpholine-4-carboxamide
SMILES	C[C@@H]1C2=C(CC[C@@H]2CC(NC(=O)N2CCOCC2)c2cccc(Cl)c2)Cc2c1cnn2-c1ccc(F)cc1
InChI	InChI=1S/C30H32ClFN4O2/c1-19-26-18-33-36(25-9-7-24(32)8-10-25)28(26)17-22-6-5-21(29(19)22)16-27(20-3-2-4-23(31)15-20)34-30(37)35-11-13-38-14-12-35/h2-4,7-10,15,18-19,21,27H,5-6,11-14,16-17H2,1H3,(H,34,37)/t19-,21+,27?/m0/s1
InChIKey	HLHQMXMXYPURIA-WTULVLTMSA-N
XLogP	6.20
TPSA	59.39 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.06
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]ethyl]morpholine-4-carboxamide?

The IUPAC name of N-[1-(3-chlorophenyl)-2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]ethyl]morpholine-4-carboxamide (CID 68790499) is N-[1-(3-chlorophenyl)-2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]ethyl]morpholine-4-carboxamide.

What is the SMILES notation for N-[1-(3-chlorophenyl)-2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]ethyl]morpholine-4-carboxamide?

The canonical SMILES for N-[1-(3-chlorophenyl)-2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]ethyl]morpholine-4-carboxamide is C[C@@H]1C2=C(CC[C@@H]2CC(NC(=O)N2CCOCC2)c2cccc(Cl)c2)Cc2c1cnn2-c1ccc(F)cc1.

What is the InChIKey of N-[1-(3-chlorophenyl)-2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]ethyl]morpholine-4-carboxamide?

The InChIKey is HLHQMXMXYPURIA-WTULVLTMSA-N. The full InChI is InChI=1S/C30H32ClFN4O2/c1-19-26-18-33-36(25-9-7-24(32)8-10-25)28(26)17-22-6-5-21(29(19)22)16-27(20-3-2-4-23(31)15-20)34-30(37)35-11-13-38-14-12-35/h2-4,7-10,15,18-19,21,27H,5-6,11-14,16-17H2,1H3,(H,34,37)/t19-,21+,27?/m0/s1.

What are the key properties of N-[1-(3-chlorophenyl)-2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]ethyl]morpholine-4-carboxamide?

N-[1-(3-chlorophenyl)-2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]ethyl]morpholine-4-carboxamide has a molecular weight of 535.06 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-chlorophenyl)-2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 68790499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).