1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea

C24H23FN4O — CID 50801401

IUPAC1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
SMILESCc1ccc(NC(=O)NCC(c2cccnc2)c2cn(C)c3ccccc23)cc1F
InChIInChI=1S/C24H23FN4O/c1-16-9-10-18(12-22(16)25)28-24(30)27-14-20(17-6-5-11-26-13-17)21-15-29(2)23-8-4-3-7-19(21)23/h3-13,15,20H,14H2,1-2H3,(H2,27,28,30)
InChIKeyRQAGXNLEJHPNMK-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.97
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea

1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea (PubChem CID 50801401) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
PubChem CID50801401
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
SMILESCc1ccc(NC(=O)NCC(c2cccnc2)c2cn(C)c3ccccc23)cc1F
InChIInChI=1S/C24H23FN4O/c1-16-9-10-18(12-22(16)25)28-24(30)27-14-20(17-6-5-11-26-13-17)21-15-29(2)23-8-4-3-7-19(21)23/h3-13,15,20H,14H2,1-2H3,(H2,27,28,30)
InChIKeyRQAGXNLEJHPNMK-UHFFFAOYSA-N
XLogP4.97
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 92892974
1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 92876063
1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea
CID 92892988
1-(3-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801412
1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801348
1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801418
N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 71788710
1-[(2S)-2-(1-ethylindol-3-yl)-2-pyridin-3-ylethyl]-3-(3-methylbutyl)urea
CID 92876056
1-[(2R)-2-(1-ethylindol-3-yl)-2-pyridin-3-ylethyl]-3-(3-methylbutyl)urea
CID 92876057
3-[(3-fluoro-4-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62668647
N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide
CID 95043708
N'-(3-fluoro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide
CID 22517408

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea (CID 50801401) is 1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea is Cc1ccc(NC(=O)NCC(c2cccnc2)c2cn(C)c3ccccc23)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea?
The InChIKey is RQAGXNLEJHPNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-16-9-10-18(12-22(16)25)28-24(30)27-14-20(17-6-5-11-26-13-17)21-15-29(2)23-8-4-3-7-19(21)23/h3-13,15,20H,14H2,1-2H3,(H2,27,28,30).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea?
1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea has a molecular weight of 402.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea is sourced from PubChem (CID 50801401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).