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

C20H29N5O — CID 46331537

IUPAC1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
SMILESO=C(NCCc1nc2cccnc2n1C1CCCC1)NC1CCCCC1
InChIInChI=1S/C20H29N5O/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/h6,11,13,15-16H,1-5,7-10,12,14H2,(H2,22,23,26)
InChIKeyYKSPVHIVUGIEOP-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.72
Rot. Bonds5

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

1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea (PubChem CID 46331537) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
PubChem CID46331537
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
SMILESO=C(NCCc1nc2cccnc2n1C1CCCC1)NC1CCCCC1
InChIInChI=1S/C20H29N5O/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/h6,11,13,15-16H,1-5,7-10,12,14H2,(H2,22,23,26)
InChIKeyYKSPVHIVUGIEOP-UHFFFAOYSA-N
XLogP3.72
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.72
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-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea
CID 46331496
1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea
CID 50788040
1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 50788081
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-(2-phenylethyl)acetamide
CID 46360261
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide
CID 3214157
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide
CID 46360260
1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 53144575
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-methylacetamide
CID 18734143

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea (CID 46331537) is 1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea is O=C(NCCc1nc2cccnc2n1C1CCCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea?
The InChIKey is YKSPVHIVUGIEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/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/h6,11,13,15-16H,1-5,7-10,12,14H2,(H2,22,23,26).
What are the key properties of 1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea?
1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea has a molecular weight of 355.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea is sourced from PubChem (CID 46331537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).