1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea

C31H31FN4O2 — CID 68791961

IUPAC1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea
SMILESC[C@@H]1C2=C(CC[C@@H]2CC(NC(=O)NCc2ccco2)c2ccccc2)Cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C31H31FN4O2/c1-20-27-19-34-36(25-13-11-24(32)12-14-25)29(27)17-23-10-9-22(30(20)23)16-28(21-6-3-2-4-7-21)35-31(37)33-18-26-8-5-15-38-26/h2-8,11-15,19-20,22,28H,9-10,16-18H2,1H3,(H2,33,35,37)/t20-,22+,28?/m0/s1
InChIKeyFBOUJDBNHNKGAJ-FDBSDCMXSA-N
MW510.61 g/mol
LogP6.60
Rot. Bonds7

About 1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea

1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea (PubChem CID 68791961) has the molecular formula C31H31FN4O2 and a molecular weight of 510.61 g/mol. Its IUPAC name is 1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea
PubChem CID68791961
Molecular FormulaC31H31FN4O2
Molecular Weight510.61 g/mol
Exact Mass510.24
IUPAC Name1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea
SMILESC[C@@H]1C2=C(CC[C@@H]2CC(NC(=O)NCc2ccco2)c2ccccc2)Cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C31H31FN4O2/c1-20-27-19-34-36(25-13-11-24(32)12-14-25)29(27)17-23-10-9-22(30(20)23)16-28(21-6-3-2-4-7-21)35-31(37)33-18-26-8-5-15-38-26/h2-8,11-15,19-20,22,28H,9-10,16-18H2,1H3,(H2,33,35,37)/t20-,22+,28?/m0/s1
InChIKeyFBOUJDBNHNKGAJ-FDBSDCMXSA-N
XLogP6.60
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.61
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]-N-(2-furylmethyl)propanamide
CID 16022634
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[(furan-2-YL)methyl]propanamide
CID 16022770
[4-[1-(3-Fluorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 16023269
Tert-butyl 4-[1-(2,4-difluorophenyl)-4-(furan-2-ylmethylcarbamoyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16023978
N-{1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}-2-furamide
CID 16191279
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 16291129
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide
CID 24819168
4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(furan-2-ylmethyl)butanamide
CID 20919783
4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]-N-(2-furylmethyl)butanamide
CID 20919913
5-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 1319133
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 16293653
5-[(3-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 1068291

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea (CID 68791961) is 1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea is C[C@@H]1C2=C(CC[C@@H]2CC(NC(=O)NCc2ccco2)c2ccccc2)Cc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea?
The InChIKey is FBOUJDBNHNKGAJ-FDBSDCMXSA-N. The full InChI is InChI=1S/C31H31FN4O2/c1-20-27-19-34-36(25-13-11-24(32)12-14-25)29(27)17-23-10-9-22(30(20)23)16-28(21-6-3-2-4-7-21)35-31(37)33-18-26-8-5-15-38-26/h2-8,11-15,19-20,22,28H,9-10,16-18H2,1H3,(H2,33,35,37)/t20-,22+,28?/m0/s1.
What are the key properties of 1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea?
1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 510.61 g/mol, XLogP of 6.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 68791961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).