2-[4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidin-1-yl]-N-methylethanamine

C20H26N6O — CID 45487354

IUPAC2-[4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2cnc3nc(-c4cccnc4OC)[nH]c3c2)CC1
InChIInChI=1S/C20H26N6O/c1-21-8-11-26-9-5-14(6-10-26)15-12-17-19(23-13-15)25-18(24-17)16-4-3-7-22-20(16)27-2/h3-4,7,12-14,21H,5-6,8-11H2,1-2H3,(H,23,24,25)
InChIKeyDAMBDOIWCIIKJF-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.43
Rot. Bonds6

About 2-[4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidin-1-yl]-N-methylethanamine

2-[4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 45487354) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidin-1-yl]-N-methylethanamine
PubChem CID45487354
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-[4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2cnc3nc(-c4cccnc4OC)[nH]c3c2)CC1
InChIInChI=1S/C20H26N6O/c1-21-8-11-26-9-5-14(6-10-26)15-12-17-19(23-13-15)25-18(24-17)16-4-3-7-22-20(16)27-2/h3-4,7,12-14,21H,5-6,8-11H2,1-2H3,(H,23,24,25)
InChIKeyDAMBDOIWCIIKJF-UHFFFAOYSA-N
XLogP2.43
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidin-1-yl]-N-methylethanamine (CID 45487354) is 2-[4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2cnc3nc(-c4cccnc4OC)[nH]c3c2)CC1.
What is the InChIKey of 2-[4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidin-1-yl]-N-methylethanamine?
The InChIKey is DAMBDOIWCIIKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-21-8-11-26-9-5-14(6-10-26)15-12-17-19(23-13-15)25-18(24-17)16-4-3-7-22-20(16)27-2/h3-4,7,12-14,21H,5-6,8-11H2,1-2H3,(H,23,24,25).
What are the key properties of 2-[4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidin-1-yl]-N-methylethanamine?
2-[4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 366.47 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 45487354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).