3-(4-ethoxyphenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one

C23H25N3O2 — CID 112535078

IUPAC3-(4-ethoxyphenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one
SMILESCCOc1ccc(CCC(=O)n2cc(C3=CCNCC3)c3ncccc32)cc1
InChIInChI=1S/C23H25N3O2/c1-2-28-19-8-5-17(6-9-19)7-10-22(27)26-16-20(18-11-14-24-15-12-18)23-21(26)4-3-13-25-23/h3-6,8-9,11,13,16,24H,2,7,10,12,14-15H2,1H3
InChIKeyOYFVMZHIDPRQBT-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.08
Rot. Bonds6

About 3-(4-ethoxyphenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one

3-(4-ethoxyphenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one (PubChem CID 112535078) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one
PubChem CID112535078
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-(4-ethoxyphenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one
SMILESCCOc1ccc(CCC(=O)n2cc(C3=CCNCC3)c3ncccc32)cc1
InChIInChI=1S/C23H25N3O2/c1-2-28-19-8-5-17(6-9-19)7-10-22(27)26-16-20(18-11-14-24-15-12-18)23-21(26)4-3-13-25-23/h3-6,8-9,11,13,16,24H,2,7,10,12,14-15H2,1H3
InChIKeyOYFVMZHIDPRQBT-UHFFFAOYSA-N
XLogP4.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one
CID 112535094
3-(4-methoxyphenyl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 112535077
3-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878055
3-(4-ethoxyphenyl)propanamide;hydrochloride
CID 172679140
3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine
CID 115981883
1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one
CID 112536102
8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56798699
1-(4-ethoxyphenyl)hexan-3-one
CID 64505470
4-(4-ethoxyphenyl)-2-oxobutanoic acid
CID 82185773
2-(4-ethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17249493
3-(4-ethoxyphenyl)-1-[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propan-1-one
CID 124796563
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-ethoxyphenyl)propan-1-one;hydrochloride
CID 119467317

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one?
The IUPAC name of 3-(4-ethoxyphenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one (CID 112535078) is 3-(4-ethoxyphenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one is CCOc1ccc(CCC(=O)n2cc(C3=CCNCC3)c3ncccc32)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one?
The InChIKey is OYFVMZHIDPRQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-28-19-8-5-17(6-9-19)7-10-22(27)26-16-20(18-11-14-24-15-12-18)23-21(26)4-3-13-25-23/h3-6,8-9,11,13,16,24H,2,7,10,12,14-15H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one?
3-(4-ethoxyphenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one has a molecular weight of 375.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one is sourced from PubChem (CID 112535078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).