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

C29H33FN4O2 — CID 68760491

IUPACN-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-methoxypyridine-3-carboxamide
SMILESCCCC(C[C@H]1CCC2=C1[C@@H](C)C1=CNN(c3ccc(F)cc3)C1=C2)NC(=O)c1cccnc1OC
InChIInChI=1S/C29H33FN4O2/c1-4-6-22(33-28(35)24-7-5-14-31-29(24)36-3)15-19-8-9-20-16-26-25(18(2)27(19)20)17-32-34(26)23-12-10-21(30)11-13-23/h5,7,10-14,16-19,22,32H,4,6,8-9,15H2,1-3H3,(H,33,35)/t18-,19+,22?/m0/s1
InChIKeyKXEUJKYQSKDDCI-ZKTCVHQMSA-N
MW488.61 g/mol
LogP5.67
Rot. Bonds8

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

N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 68760491) has the molecular formula C29H33FN4O2 and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-methoxypyridine-3-carboxamide
PubChem CID68760491
Molecular FormulaC29H33FN4O2
Molecular Weight488.61 g/mol
Exact Mass488.26
IUPAC NameN-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-methoxypyridine-3-carboxamide
SMILESCCCC(C[C@H]1CCC2=C1[C@@H](C)C1=CNN(c3ccc(F)cc3)C1=C2)NC(=O)c1cccnc1OC
InChIInChI=1S/C29H33FN4O2/c1-4-6-22(33-28(35)24-7-5-14-31-29(24)36-3)15-19-8-9-20-16-26-25(18(2)27(19)20)17-32-34(26)23-12-10-21(30)11-13-23/h5,7,10-14,16-19,22,32H,4,6,8-9,15H2,1-3H3,(H,33,35)/t18-,19+,22?/m0/s1
InChIKeyKXEUJKYQSKDDCI-ZKTCVHQMSA-N
XLogP5.67
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.61
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

2-ethoxy-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 1478065
2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 2080643
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4794993
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide
CID 8897416
N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368063
N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368202
N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxypyridin-4-yl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide
CID 142471211
2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 2468311
N-cyclohexyl-2-phenylmethoxypyridine-3-carboxamide
CID 60145664
N-cyclohexyl-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 60145665
N-cycloheptyl-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 60145666

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-methoxypyridine-3-carboxamide (CID 68760491) is N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-methoxypyridine-3-carboxamide is CCCC(C[C@H]1CCC2=C1[C@@H](C)C1=CNN(c3ccc(F)cc3)C1=C2)NC(=O)c1cccnc1OC.
What is the InChIKey of N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is KXEUJKYQSKDDCI-ZKTCVHQMSA-N. The full InChI is InChI=1S/C29H33FN4O2/c1-4-6-22(33-28(35)24-7-5-14-31-29(24)36-3)15-19-8-9-20-16-26-25(18(2)27(19)20)17-32-34(26)23-12-10-21(30)11-13-23/h5,7,10-14,16-19,22,32H,4,6,8-9,15H2,1-3H3,(H,33,35)/t18-,19+,22?/m0/s1.
What are the key properties of N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-methoxypyridine-3-carboxamide?
N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 5.67, 8 rotatable bonds, 2 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-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 68760491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).