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

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

N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]pyrimidine-5-carboxamide (PubChem CID 68761837) has the molecular formula C27H30FN5O and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name	N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]pyrimidine-5-carboxamide
PubChem CID	68761837
Molecular Formula	C27H30FN5O
Molecular Weight	459.57 g/mol
Exact Mass	459.24
IUPAC Name	N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]pyrimidine-5-carboxamide
SMILES	CCCC(C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2)NC(=O)c1cncnc1
InChI	InChI=1S/C27H30FN5O/c1-3-4-22(32-27(34)20-13-29-16-30-14-20)11-18-5-6-19-12-25-24(17(2)26(18)19)15-31-33(25)23-9-7-21(28)8-10-23/h7-10,13-18,22H,3-6,11-12H2,1-2H3,(H,32,34)/t17-,18+,22?/m0/s1
InChIKey	JHNCDDRGADQEEJ-WQFBUZOZSA-N
XLogP	5.16
TPSA	72.70 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.57
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]pyrimidine-5-carboxamide?

The IUPAC name of N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]pyrimidine-5-carboxamide (CID 68761837) is N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]pyrimidine-5-carboxamide.

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

The canonical SMILES for N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]pyrimidine-5-carboxamide is CCCC(C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2)NC(=O)c1cncnc1.

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

The InChIKey is JHNCDDRGADQEEJ-WQFBUZOZSA-N. The full InChI is InChI=1S/C27H30FN5O/c1-3-4-22(32-27(34)20-13-29-16-30-14-20)11-18-5-6-19-12-25-24(17(2)26(18)19)15-31-33(25)23-9-7-21(28)8-10-23/h7-10,13-18,22H,3-6,11-12H2,1-2H3,(H,32,34)/t17-,18+,22?/m0/s1.

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

N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]pyrimidine-5-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 68761837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).