6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine

C24H34ClN7O2 — CID 166746471

IUPAC6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCOc1ccc(Cl)c(CN2Cc3nc(OCC4CCCN4C)nc(N4CCNCC4C)c3C2)n1
InChIInChI=1S/C24H34ClN7O2/c1-16-11-26-8-10-32(16)23-18-12-31(14-21-19(25)6-7-22(27-21)33-3)13-20(18)28-24(29-23)34-15-17-5-4-9-30(17)2/h6-7,16-17,26H,4-5,8-15H2,1-3H3
InChIKeyXWQYDOVZOQVYOY-UHFFFAOYSA-N
MW488.04 g/mol
LogP2.32
Rot. Bonds7

About 6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine

6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 166746471) has the molecular formula C24H34ClN7O2 and a molecular weight of 488.04 g/mol. Its IUPAC name is 6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID166746471
Molecular FormulaC24H34ClN7O2
Molecular Weight488.04 g/mol
Exact Mass487.25
IUPAC Name6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCOc1ccc(Cl)c(CN2Cc3nc(OCC4CCCN4C)nc(N4CCNCC4C)c3C2)n1
InChIInChI=1S/C24H34ClN7O2/c1-16-11-26-8-10-32(16)23-18-12-31(14-21-19(25)6-7-22(27-21)33-3)13-20(18)28-24(29-23)34-15-17-5-4-9-30(17)2/h6-7,16-17,26H,4-5,8-15H2,1-3H3
InChIKeyXWQYDOVZOQVYOY-UHFFFAOYSA-N
XLogP2.32
TPSA78.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.04
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine with MolForge

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Related Compounds

6-[(5-methoxy-2-methylphenyl)methyl]-4-[(2S)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 156843496
4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine
CID 166649357
(2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine
CID 175912498
1-[4-[6-[(5-chloro-2-fluorophenyl)methyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-methylidenepiperazin-1-yl]prop-2-en-1-one
CID 156843251
3-methyl-4-[2-[(1-methylpyrrolidin-2-yl)methoxy]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 166746415
2-[[7-benzyl-4-(2-methylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylethanamine
CID 175966919
1-[(2R,5S)-4-[6-[(5-hydroxy-2-methylphenyl)methyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 156843584
1-[4-[2-[(1-methylpyrrolidin-2-yl)methoxy]-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 175291172
1-[(2R,5S)-2,5-dimethyl-4-[6-[(5-methyl-1H-indazol-4-yl)methyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 156843386
2-[(2S)-4-[6-[(2,6-dichlorophenyl)methyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 156843305
6-[(2,3-dimethylphenyl)methyl]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 167628502
4-(4-ethenylsulfonylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 175291205

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 166746471) is 6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine is COc1ccc(Cl)c(CN2Cc3nc(OCC4CCCN4C)nc(N4CCNCC4C)c3C2)n1.
What is the InChIKey of 6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is XWQYDOVZOQVYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN7O2/c1-16-11-26-8-10-32(16)23-18-12-31(14-21-19(25)6-7-22(27-21)33-3)13-20(18)28-24(29-23)34-15-17-5-4-9-30(17)2/h6-7,16-17,26H,4-5,8-15H2,1-3H3.
What are the key properties of 6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 488.04 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-4-(2-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 166746471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).