1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea

C26H29FN4O — CID 70793640

IUPAC1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea
SMILESCc1cc(F)cc(C(Cc2ccccc2)(NC(=O)NC2CCCC2)c2ccc(N)cn2)c1
InChIInChI=1S/C26H29FN4O/c1-18-13-20(15-21(27)14-18)26(16-19-7-3-2-4-8-19,24-12-11-22(28)17-29-24)31-25(32)30-23-9-5-6-10-23/h2-4,7-8,11-15,17,23H,5-6,9-10,16,28H2,1H3,(H2,30,31,32)
InChIKeyFSRPNNDUGPLKRV-UHFFFAOYSA-N
MW432.54 g/mol
LogP4.84
Rot. Bonds6

About 1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea

1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea (PubChem CID 70793640) has the molecular formula C26H29FN4O and a molecular weight of 432.54 g/mol. Its IUPAC name is 1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea
PubChem CID70793640
Molecular FormulaC26H29FN4O
Molecular Weight432.54 g/mol
Exact Mass432.23
IUPAC Name1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea
SMILESCc1cc(F)cc(C(Cc2ccccc2)(NC(=O)NC2CCCC2)c2ccc(N)cn2)c1
InChIInChI=1S/C26H29FN4O/c1-18-13-20(15-21(27)14-18)26(16-19-7-3-2-4-8-19,24-12-11-22(28)17-29-24)31-25(32)30-23-9-5-6-10-23/h2-4,7-8,11-15,17,23H,5-6,9-10,16,28H2,1H3,(H2,30,31,32)
InChIKeyFSRPNNDUGPLKRV-UHFFFAOYSA-N
XLogP4.84
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(5-amino-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethyl]-3-cyclopentylurea
CID 71195704
1-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 58921512
1-cyclopentyl-3-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]urea
CID 58921558
1-(4-aminocyclohexyl)-3-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]urea
CID 58921501
1-(4-aminocyclohexyl)-3-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-iodo-2-pyridinyl)-2-phenylethyl]urea
CID 70793531
1-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-iodo-2-pyridinyl)-2-phenylethyl]-3-(1-methylpiperidin-4-yl)urea
CID 70793560
1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 73317428
1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea
CID 58920749
1-[2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea
CID 73317529
1-cyclopentyl-3-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]urea
CID 58920647
1-[1-(5-chloro-2-pyridinyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 66934315
1-[(1S,2S)-2-aminocyclohexyl]-3-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-iodo-2-pyridinyl)-2-phenylethyl]urea
CID 70793617

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea?
The IUPAC name of 1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea (CID 70793640) is 1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea?
The canonical SMILES for 1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea is Cc1cc(F)cc(C(Cc2ccccc2)(NC(=O)NC2CCCC2)c2ccc(N)cn2)c1.
What is the InChIKey of 1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea?
The InChIKey is FSRPNNDUGPLKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O/c1-18-13-20(15-21(27)14-18)26(16-19-7-3-2-4-8-19,24-12-11-22(28)17-29-24)31-25(32)30-23-9-5-6-10-23/h2-4,7-8,11-15,17,23H,5-6,9-10,16,28H2,1H3,(H2,30,31,32).
What are the key properties of 1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea?
1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea has a molecular weight of 432.54 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea is sourced from PubChem (CID 70793640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).