N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-6-amine

C20H25N7O2 — CID 90183295

IUPACN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C3CCOC3)n2)CC1
InChIInChI=1S/C20H25N7O2/c1-28-15-3-7-26(8-4-15)20-21-6-2-18(25-20)24-19-10-17-16(11-22-19)23-13-27(17)14-5-9-29-12-14/h2,6,10-11,13-15H,3-5,7-9,12H2,1H3,(H,21,22,24,25)
InChIKeyCBMMZVNQSZODPO-UHFFFAOYSA-N
MW395.47 g/mol
LogP2.54
Rot. Bonds5

About N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-6-amine

N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-6-amine (PubChem CID 90183295) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-6-amine
PubChem CID90183295
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC NameN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C3CCOC3)n2)CC1
InChIInChI=1S/C20H25N7O2/c1-28-15-3-7-26(8-4-15)20-21-6-2-18(25-20)24-19-10-17-16(11-22-19)23-13-27(17)14-5-9-29-12-14/h2,6,10-11,13-15H,3-5,7-9,12H2,1H3,(H,21,22,24,25)
InChIKeyCBMMZVNQSZODPO-UHFFFAOYSA-N
XLogP2.54
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-6-amine (CID 90183295) is N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-6-amine is COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C3CCOC3)n2)CC1.
What is the InChIKey of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-6-amine?
The InChIKey is CBMMZVNQSZODPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-28-15-3-7-26(8-4-15)20-21-6-2-18(25-20)24-19-10-17-16(11-22-19)23-13-27(17)14-5-9-29-12-14/h2,6,10-11,13-15H,3-5,7-9,12H2,1H3,(H,21,22,24,25).
What are the key properties of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-6-amine?
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-6-amine has a molecular weight of 395.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90183295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).