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

C22H27N5O — CID 46331527

IUPAC1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCCc1nc2cccnc2n1C1CCCC1
InChIInChI=1S/C22H27N5O/c28-22(24-15-12-17-7-2-1-3-8-17)25-16-13-20-26-19-11-6-14-23-21(19)27(20)18-9-4-5-10-18/h1-3,6-8,11,14,18H,4-5,9-10,12-13,15-16H2,(H2,24,25,28)
InChIKeyWSNXCPBJTQRKAM-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.63
Rot. Bonds7

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

1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea (PubChem CID 46331527) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea
PubChem CID46331527
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCCc1nc2cccnc2n1C1CCCC1
InChIInChI=1S/C22H27N5O/c28-22(24-15-12-17-7-2-1-3-8-17)25-16-13-20-26-19-11-6-14-23-21(19)27(20)18-9-4-5-10-18/h1-3,6-8,11,14,18H,4-5,9-10,12-13,15-16H2,(H2,24,25,28)
InChIKeyWSNXCPBJTQRKAM-UHFFFAOYSA-N
XLogP3.63
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea
CID 46331496
1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 46331537
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 46360261
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-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 50788081
2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 82483690
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734574
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-methylacetamide
CID 18734143
N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134796821
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide
CID 46360260

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea (CID 46331527) is 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NCCc1nc2cccnc2n1C1CCCC1.
What is the InChIKey of 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea?
The InChIKey is WSNXCPBJTQRKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c28-22(24-15-12-17-7-2-1-3-8-17)25-16-13-20-26-19-11-6-14-23-21(19)27(20)18-9-4-5-10-18/h1-3,6-8,11,14,18H,4-5,9-10,12-13,15-16H2,(H2,24,25,28).
What are the key properties of 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea?
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea has a molecular weight of 377.49 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 46331527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).