3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine

C22H29N5O2 — CID 127030405

IUPAC3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCc1noc(C)c1-c1cnc2c(c1)nc(NC1CCOCC1)n2CC1CCCC1
InChIInChI=1S/C22H29N5O2/c1-14-20(15(2)29-26-14)17-11-19-21(23-12-17)27(13-16-5-3-4-6-16)22(25-19)24-18-7-9-28-10-8-18/h11-12,16,18H,3-10,13H2,1-2H3,(H,24,25)
InChIKeyXKIQFHHUYFCKPM-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.48
Rot. Bonds5

About 3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine

3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 127030405) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine
PubChem CID127030405
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCc1noc(C)c1-c1cnc2c(c1)nc(NC1CCOCC1)n2CC1CCCC1
InChIInChI=1S/C22H29N5O2/c1-14-20(15(2)29-26-14)17-11-19-21(23-12-17)27(13-16-5-3-4-6-16)22(25-19)24-18-7-9-28-10-8-18/h11-12,16,18H,3-10,13H2,1-2H3,(H,24,25)
InChIKeyXKIQFHHUYFCKPM-UHFFFAOYSA-N
XLogP4.48
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine (CID 127030405) is 3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine is Cc1noc(C)c1-c1cnc2c(c1)nc(NC1CCOCC1)n2CC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is XKIQFHHUYFCKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-14-20(15(2)29-26-14)17-11-19-21(23-12-17)27(13-16-5-3-4-6-16)22(25-19)24-18-7-9-28-10-8-18/h11-12,16,18H,3-10,13H2,1-2H3,(H,24,25).
What are the key properties of 3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine?
3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 395.51 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 127030405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).