1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine

C16H18N2O2 — CID 152535816

IUPAC1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine
SMILES[2H]C1c2ccncc2CN1Cc1ccc(OC)cc1OC
InChIInChI=1S/C16H18N2O2/c1-19-15-4-3-13(16(7-15)20-2)10-18-9-12-5-6-17-8-14(12)11-18/h3-8H,9-11H2,1-2H3/i9D
InChIKeyYKMQOKBELWRQDO-QOWOAITPSA-N
MW271.34 g/mol
LogP2.61
Rot. Bonds4

About 1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine

1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine (PubChem CID 152535816) has the molecular formula C16H18N2O2 and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine
PubChem CID152535816
Molecular FormulaC16H18N2O2
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine
SMILES[2H]C1c2ccncc2CN1Cc1ccc(OC)cc1OC
InChIInChI=1S/C16H18N2O2/c1-19-15-4-3-13(16(7-15)20-2)10-18-9-12-5-6-17-8-14(12)11-18/h3-8H,9-11H2,1-2H3/i9D
InChIKeyYKMQOKBELWRQDO-QOWOAITPSA-N
XLogP2.61
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine
CID 71817812
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole
CID 70790411
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
3-chloro-6-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyrazine
CID 178141497
6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928651
6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960913
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 74246127
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1,3-dihydropyrrolo[3,4-c]pyridine
CID 141301468

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine?
The IUPAC name of 1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine (CID 152535816) is 1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine is [2H]C1c2ccncc2CN1Cc1ccc(OC)cc1OC.
What is the InChIKey of 1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine?
The InChIKey is YKMQOKBELWRQDO-QOWOAITPSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-19-15-4-3-13(16(7-15)20-2)10-18-9-12-5-6-17-8-14(12)11-18/h3-8H,9-11H2,1-2H3/i9D.
What are the key properties of 1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine?
1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine has a molecular weight of 271.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 152535816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).