2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine

C23H30N4O2 — CID 126466902

IUPAC2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine
SMILESCOCc1nc2cccnc2n1C1CCN(C(C)Cc2ccccc2OC)CC1
InChIInChI=1S/C23H30N4O2/c1-17(15-18-7-4-5-9-21(18)29-3)26-13-10-19(11-14-26)27-22(16-28-2)25-20-8-6-12-24-23(20)27/h4-9,12,17,19H,10-11,13-16H2,1-3H3
InChIKeyRLNSPNOYMOGBIP-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.85
Rot. Bonds7

About 2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine

2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine (PubChem CID 126466902) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine
PubChem CID126466902
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine
SMILESCOCc1nc2cccnc2n1C1CCN(C(C)Cc2ccccc2OC)CC1
InChIInChI=1S/C23H30N4O2/c1-17(15-18-7-4-5-9-21(18)29-3)26-13-10-19(11-14-26)27-22(16-28-2)25-20-8-6-12-24-23(20)27/h4-9,12,17,19H,10-11,13-16H2,1-3H3
InChIKeyRLNSPNOYMOGBIP-UHFFFAOYSA-N
XLogP3.85
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine (CID 126466902) is 2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine is COCc1nc2cccnc2n1C1CCN(C(C)Cc2ccccc2OC)CC1.
What is the InChIKey of 2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine?
The InChIKey is RLNSPNOYMOGBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17(15-18-7-4-5-9-21(18)29-3)26-13-10-19(11-14-26)27-22(16-28-2)25-20-8-6-12-24-23(20)27/h4-9,12,17,19H,10-11,13-16H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine?
2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine has a molecular weight of 394.52 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 126466902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).