[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone

C24H29N5O3 — CID 176500900

IUPAC[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
SMILESCOc1ccccc1CN1CCN(C(=O)c2cnc3c(c2)ncn3C2CCOCC2)CC1
InChIInChI=1S/C24H29N5O3/c1-31-22-5-3-2-4-18(22)16-27-8-10-28(11-9-27)24(30)19-14-21-23(25-15-19)29(17-26-21)20-6-12-32-13-7-20/h2-5,14-15,17,20H,6-13,16H2,1H3
InChIKeyYDPQOOCGTAGVJL-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.75
Rot. Bonds5

About [4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone

[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone (PubChem CID 176500900) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is [4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
PubChem CID176500900
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
SMILESCOc1ccccc1CN1CCN(C(=O)c2cnc3c(c2)ncn3C2CCOCC2)CC1
InChIInChI=1S/C24H29N5O3/c1-31-22-5-3-2-4-18(22)16-27-8-10-28(11-9-27)24(30)19-14-21-23(25-15-19)29(17-26-21)20-6-12-32-13-7-20/h2-5,14-15,17,20H,6-13,16H2,1H3
InChIKeyYDPQOOCGTAGVJL-UHFFFAOYSA-N
XLogP2.75
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone
CID 176500253
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488
(3,4-dimethoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17385004
N-benzyl-N-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175646445
[2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176506235
(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398984
(4-methoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 704389
[(2S)-6-benzoyl-6-azaspiro[2.5]octan-2-yl]-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 125162163
(6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 125011765
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
(2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110014493
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110398981

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone?
The IUPAC name of [4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone (CID 176500900) is [4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone.
What is the SMILES notation for [4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone?
The canonical SMILES for [4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone is COc1ccccc1CN1CCN(C(=O)c2cnc3c(c2)ncn3C2CCOCC2)CC1.
What is the InChIKey of [4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone?
The InChIKey is YDPQOOCGTAGVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-31-22-5-3-2-4-18(22)16-27-8-10-28(11-9-27)24(30)19-14-21-23(25-15-19)29(17-26-21)20-6-12-32-13-7-20/h2-5,14-15,17,20H,6-13,16H2,1H3.
What are the key properties of [4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone?
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone has a molecular weight of 435.53 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone is sourced from PubChem (CID 176500900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).