1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea

C19H19FN4O — CID 66549271

IUPAC1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)N[C@H]1CC[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C19H19FN4O/c20-14-4-1-3-12(9-14)13-7-8-15(10-13)22-19(25)23-17-5-2-6-18-16(17)11-21-24-18/h1-6,9,11,13,15H,7-8,10H2,(H,21,24)(H2,22,23,25)/t13-,15-/m0/s1
InChIKeyROOFFAWDIFZLQB-ZFWWWQNUSA-N
MW338.39 g/mol
LogP4.16
Rot. Bonds3

About 1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea

1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea (PubChem CID 66549271) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
PubChem CID66549271
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)N[C@H]1CC[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C19H19FN4O/c20-14-4-1-3-12(9-14)13-7-8-15(10-13)22-19(25)23-17-5-2-6-18-16(17)11-21-24-18/h1-6,9,11,13,15H,7-8,10H2,(H,21,24)(H2,22,23,25)/t13-,15-/m0/s1
InChIKeyROOFFAWDIFZLQB-ZFWWWQNUSA-N
XLogP4.16
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea (CID 66549271) is 1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea is O=C(Nc1cccc2[nH]ncc12)N[C@H]1CC[C@H](c2cccc(F)c2)C1.
What is the InChIKey of 1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea?
The InChIKey is ROOFFAWDIFZLQB-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-14-4-1-3-12(9-14)13-7-8-15(10-13)22-19(25)23-17-5-2-6-18-16(17)11-21-24-18/h1-6,9,11,13,15H,7-8,10H2,(H,21,24)(H2,22,23,25)/t13-,15-/m0/s1.
What are the key properties of 1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea?
1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea has a molecular weight of 338.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 66549271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).