1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea

C21H16ClFN4O — CID 46386852

IUPAC1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1c(-c2ccncc2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C21H16ClFN4O/c22-17-3-1-2-16-19(17)26-18(14-8-10-24-11-9-14)20(16)27-21(28)25-12-13-4-6-15(23)7-5-13/h1-11,26H,12H2,(H2,25,27,28)
InChIKeyCNNBVTDHPXKUHH-UHFFFAOYSA-N
MW394.84 g/mol
LogP5.34
Rot. Bonds4

About 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea

1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea (PubChem CID 46386852) has the molecular formula C21H16ClFN4O and a molecular weight of 394.84 g/mol. Its IUPAC name is 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea
PubChem CID46386852
Molecular FormulaC21H16ClFN4O
Molecular Weight394.84 g/mol
Exact Mass394.10
IUPAC Name1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1c(-c2ccncc2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C21H16ClFN4O/c22-17-3-1-2-16-19(17)26-18(14-8-10-24-11-9-14)20(16)27-21(28)25-12-13-4-6-15(23)7-5-13/h1-11,26H,12H2,(H2,25,27,28)
InChIKeyCNNBVTDHPXKUHH-UHFFFAOYSA-N
XLogP5.34
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.84
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 46386849
1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea
CID 46386835
1-N'-(2,6-dichlorophenyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975902
1-(2-chloro-4-methylphenyl)-3-(5-fluoro-2-pyridin-4-yl-1H-indol-3-yl)urea
CID 46386819
1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 6470630
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9287296
N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518293
1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 3407219
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate
CID 108896675
1-N'-(2,3-dichlorophenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108977068
1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea
CID 121165562

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea (CID 46386852) is 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea is O=C(NCc1ccc(F)cc1)Nc1c(-c2ccncc2)[nH]c2c(Cl)cccc12.
What is the InChIKey of 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is CNNBVTDHPXKUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O/c22-17-3-1-2-16-19(17)26-18(14-8-10-24-11-9-14)20(16)27-21(28)25-12-13-4-6-15(23)7-5-13/h1-11,26H,12H2,(H2,25,27,28).
What are the key properties of 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea?
1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 394.84 g/mol, XLogP of 5.34, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 46386852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).