1-ethyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine

C18H23N7O — CID 90183266

IUPAC1-ethyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
SMILESCCn1cnc2cnc(Nc3ccnc(N4CCC(OC)CC4)n3)cc21
InChIInChI=1S/C18H23N7O/c1-3-24-12-21-14-11-20-17(10-15(14)24)22-16-4-7-19-18(23-16)25-8-5-13(26-2)6-9-25/h4,7,10-13H,3,5-6,8-9H2,1-2H3,(H,19,20,22,23)
InChIKeyUYZYANPFOAPRFB-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.60
Rot. Bonds5

About 1-ethyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine

1-ethyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine (PubChem CID 90183266) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-ethyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name1-ethyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
PubChem CID90183266
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name1-ethyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
SMILESCCn1cnc2cnc(Nc3ccnc(N4CCC(OC)CC4)n3)cc21
InChIInChI=1S/C18H23N7O/c1-3-24-12-21-14-11-20-17(10-15(14)24)22-16-4-7-19-18(23-16)25-8-5-13(26-2)6-9-25/h4,7,10-13H,3,5-6,8-9H2,1-2H3,(H,19,20,22,23)
InChIKeyUYZYANPFOAPRFB-UHFFFAOYSA-N
XLogP2.60
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 1-ethyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine (CID 90183266) is 1-ethyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 1-ethyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 1-ethyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine is CCn1cnc2cnc(Nc3ccnc(N4CCC(OC)CC4)n3)cc21.
What is the InChIKey of 1-ethyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine?
The InChIKey is UYZYANPFOAPRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-3-24-12-21-14-11-20-17(10-15(14)24)22-16-4-7-19-18(23-16)25-8-5-13(26-2)6-9-25/h4,7,10-13H,3,5-6,8-9H2,1-2H3,(H,19,20,22,23).
What are the key properties of 1-ethyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine?
1-ethyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine has a molecular weight of 353.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90183266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).