(2,4-dimethoxyphenyl)-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone

C22H26N4O3 — CID 91904123

IUPAC(2,4-dimethoxyphenyl)-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(Cn3c(C)nc4cccnc43)C2)c(OC)c1
InChIInChI=1S/C22H26N4O3/c1-15-24-19-7-4-10-23-21(19)26(15)14-16-6-5-11-25(13-16)22(27)18-9-8-17(28-2)12-20(18)29-3/h4,7-10,12,16H,5-6,11,13-14H2,1-3H3
InChIKeyFVAHMGFQSFNTTM-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.31
Rot. Bonds5

About (2,4-dimethoxyphenyl)-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone

(2,4-dimethoxyphenyl)-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 91904123) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID91904123
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name(2,4-dimethoxyphenyl)-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(Cn3c(C)nc4cccnc43)C2)c(OC)c1
InChIInChI=1S/C22H26N4O3/c1-15-24-19-7-4-10-23-21(19)26(15)14-16-6-5-11-25(13-16)22(27)18-9-8-17(28-2)12-20(18)29-3/h4,7-10,12,16H,5-6,11,13-14H2,1-3H3
InChIKeyFVAHMGFQSFNTTM-UHFFFAOYSA-N
XLogP3.31
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone (CID 91904123) is (2,4-dimethoxyphenyl)-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCCC(Cn3c(C)nc4cccnc43)C2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is FVAHMGFQSFNTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-24-19-7-4-10-23-21(19)26(15)14-16-6-5-11-25(13-16)22(27)18-9-8-17(28-2)12-20(18)29-3/h4,7-10,12,16H,5-6,11,13-14H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 394.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91904123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).