1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea

C20H21ClFN5O — CID 50788081

IUPAC1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
SMILESO=C(NCCc1nc2cccnc2n1C1CCCC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H21ClFN5O/c21-15-12-13(7-8-16(15)22)25-20(28)24-11-9-18-26-17-6-3-10-23-19(17)27(18)14-4-1-2-5-14/h3,6-8,10,12,14H,1-2,4-5,9,11H2,(H2,24,25,28)
InChIKeyFULQODANBHSQHF-UHFFFAOYSA-N
MW401.87 g/mol
LogP4.70
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea

1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea (PubChem CID 50788081) has the molecular formula C20H21ClFN5O and a molecular weight of 401.87 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
PubChem CID50788081
Molecular FormulaC20H21ClFN5O
Molecular Weight401.87 g/mol
Exact Mass401.14
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
SMILESO=C(NCCc1nc2cccnc2n1C1CCCC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H21ClFN5O/c21-15-12-13(7-8-16(15)22)25-20(28)24-11-9-18-26-17-6-3-10-23-19(17)27(18)14-4-1-2-5-14/h3,6-8,10,12,14H,1-2,4-5,9,11H2,(H2,24,25,28)
InChIKeyFULQODANBHSQHF-UHFFFAOYSA-N
XLogP4.70
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea with MolForge

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Related Compounds

1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 46331537
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea
CID 46331527
1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea
CID 50788040
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 46331528
1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3-fluoro-4-methylphenyl)urea
CID 50788025
3-chloro-N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 53011007
2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 82483690
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 46360261
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 46344109
N-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53011622
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea
CID 47238015
N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134796821

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea (CID 50788081) is 1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea is O=C(NCCc1nc2cccnc2n1C1CCCC1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea?
The InChIKey is FULQODANBHSQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN5O/c21-15-12-13(7-8-16(15)22)25-20(28)24-11-9-18-26-17-6-3-10-23-19(17)27(18)14-4-1-2-5-14/h3,6-8,10,12,14H,1-2,4-5,9,11H2,(H2,24,25,28).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea?
1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea has a molecular weight of 401.87 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea is sourced from PubChem (CID 50788081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).