2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone

C23H29N5O3 — CID 92593194

IUPAC2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
SMILESCCOc1nc(C)c(CC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)c(OCC)n1
InChIInChI=1S/C23H29N5O3/c1-4-30-22-17(15(3)25-23(27-22)31-5-2)13-21(29)28-11-8-16(9-12-28)19-14-20-18(26-19)7-6-10-24-20/h6-7,10,14,16,26H,4-5,8-9,11-13H2,1-3H3
InChIKeyNXAFQJMNLIBUAD-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.41
Rot. Bonds7

About 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone

2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone (PubChem CID 92593194) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
PubChem CID92593194
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
SMILESCCOc1nc(C)c(CC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)c(OCC)n1
InChIInChI=1S/C23H29N5O3/c1-4-30-22-17(15(3)25-23(27-22)31-5-2)13-21(29)28-11-8-16(9-12-28)19-14-20-18(26-19)7-6-10-24-20/h6-7,10,14,16,26H,4-5,8-9,11-13H2,1-3H3
InChIKeyNXAFQJMNLIBUAD-UHFFFAOYSA-N
XLogP3.41
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 92571713
(2R)-2-(4-ethoxyphenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 92593870
2-(2-methoxyphenyl)-1-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 110236396
(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 155512824
2-(3-fluoro-4-methoxyphenyl)-1-[(3S)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 92597487
1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 71883526
2-methoxy-1-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 95850242
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 155533168
2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate
CID 7289553
[5-(methoxymethyl)furan-2-yl]-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 95850835
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 51097129

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone (CID 92593194) is 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone is CCOc1nc(C)c(CC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)c(OCC)n1.
What is the InChIKey of 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is NXAFQJMNLIBUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-4-30-22-17(15(3)25-23(27-22)31-5-2)13-21(29)28-11-8-16(9-12-28)19-14-20-18(26-19)7-6-10-24-20/h6-7,10,14,16,26H,4-5,8-9,11-13H2,1-3H3.
What are the key properties of 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone?
2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 423.52 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 92593194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).