1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea

C16H16FN7O — CID 95320054

IUPAC1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea
SMILESCc1nnnn1-c1cc(NC(=O)N[C@@H](C)c2ccncc2)ccc1F
InChIInChI=1S/C16H16FN7O/c1-10(12-5-7-18-8-6-12)19-16(25)20-13-3-4-14(17)15(9-13)24-11(2)21-22-23-24/h3-10H,1-2H3,(H2,19,20,25)/t10-/m0/s1
InChIKeyKTZKGUARJGMRMX-JTQLQIEISA-N
MW341.35 g/mol
LogP2.39
Rot. Bonds4

About 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea

1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea (PubChem CID 95320054) has the molecular formula C16H16FN7O and a molecular weight of 341.35 g/mol. Its IUPAC name is 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea.

Molecular Properties

Compound Name1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea
PubChem CID95320054
Molecular FormulaC16H16FN7O
Molecular Weight341.35 g/mol
Exact Mass341.14
IUPAC Name1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea
SMILESCc1nnnn1-c1cc(NC(=O)N[C@@H](C)c2ccncc2)ccc1F
InChIInChI=1S/C16H16FN7O/c1-10(12-5-7-18-8-6-12)19-16(25)20-13-3-4-14(17)15(9-13)24-11(2)21-22-23-24/h3-10H,1-2H3,(H2,19,20,25)/t10-/m0/s1
InChIKeyKTZKGUARJGMRMX-JTQLQIEISA-N
XLogP2.39
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 166208770
1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]urea
CID 146076701
1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95320049
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 29039496
1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 45147279
(3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 95320044
1-(3-chloro-4-piperidin-1-ylphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95686874
1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 17087489
1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea
CID 17087618
1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea
CID 136522782
(2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120930079

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea?
The IUPAC name of 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea (CID 95320054) is 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea.
What is the SMILES notation for 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea?
The canonical SMILES for 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea is Cc1nnnn1-c1cc(NC(=O)N[C@@H](C)c2ccncc2)ccc1F.
What is the InChIKey of 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea?
The InChIKey is KTZKGUARJGMRMX-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16FN7O/c1-10(12-5-7-18-8-6-12)19-16(25)20-13-3-4-14(17)15(9-13)24-11(2)21-22-23-24/h3-10H,1-2H3,(H2,19,20,25)/t10-/m0/s1.
What are the key properties of 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea?
1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea has a molecular weight of 341.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea is sourced from PubChem (CID 95320054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).