N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

C20H27N7O — CID 90183367

IUPACN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1
InChIInChI=1S/C20H27N7O/c1-13(2)27-14(3)23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(28-4)7-10-26/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,21,22,24,25)
InChIKeyQUOQTGPAFKSIQB-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.47
Rot. Bonds5

About N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (PubChem CID 90183367) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
PubChem CID90183367
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC NameN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1
InChIInChI=1S/C20H27N7O/c1-13(2)27-14(3)23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(28-4)7-10-26/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,21,22,24,25)
InChIKeyQUOQTGPAFKSIQB-UHFFFAOYSA-N
XLogP3.47
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (CID 90183367) is N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is COC1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.
What is the InChIKey of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is QUOQTGPAFKSIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-13(2)27-14(3)23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(28-4)7-10-26/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,21,22,24,25).
What are the key properties of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 381.48 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90183367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).