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

C20H23N5O — CID 46331496

IUPAC1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea
SMILESO=C(NCCc1nc2cccnc2n1C1CCCC1)Nc1ccccc1
InChIInChI=1S/C20H23N5O/c26-20(23-15-7-2-1-3-8-15)22-14-12-18-24-17-11-6-13-21-19(17)25(18)16-9-4-5-10-16/h1-3,6-8,11,13,16H,4-5,9-10,12,14H2,(H2,22,23,26)
InChIKeyNDMHYNXSWBUAIN-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.91
Rot. Bonds5

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

1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea (PubChem CID 46331496) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea
PubChem CID46331496
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea
SMILESO=C(NCCc1nc2cccnc2n1C1CCCC1)Nc1ccccc1
InChIInChI=1S/C20H23N5O/c26-20(23-15-7-2-1-3-8-15)22-14-12-18-24-17-11-6-13-21-19(17)25(18)16-9-4-5-10-16/h1-3,6-8,11,13,16H,4-5,9-10,12,14H2,(H2,22,23,26)
InChIKeyNDMHYNXSWBUAIN-UHFFFAOYSA-N
XLogP3.91
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.91
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-(2-phenylethyl)urea
CID 46331527
1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea
CID 50788040
1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 46331537
1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 50788081
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 46360261
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 46331528
2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 82483690
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 46344109
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-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide
CID 53022532

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea (CID 46331496) is 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea is O=C(NCCc1nc2cccnc2n1C1CCCC1)Nc1ccccc1.
What is the InChIKey of 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea?
The InChIKey is NDMHYNXSWBUAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-20(23-15-7-2-1-3-8-15)22-14-12-18-24-17-11-6-13-21-19(17)25(18)16-9-4-5-10-16/h1-3,6-8,11,13,16H,4-5,9-10,12,14H2,(H2,22,23,26).
What are the key properties of 1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea?
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea has a molecular weight of 349.44 g/mol, XLogP of 3.91, 5 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-phenylurea is sourced from PubChem (CID 46331496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).