7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine

C26H29N5O — CID 57389734

IUPAC7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine
SMILESCc1c(C)n(Cc2ccccc2)c2ncnc(OCC3CCN(Cc4cccnc4)C3)c12
InChIInChI=1S/C26H29N5O/c1-19-20(2)31(16-21-7-4-3-5-8-21)25-24(19)26(29-18-28-25)32-17-23-10-12-30(15-23)14-22-9-6-11-27-13-22/h3-9,11,13,18,23H,10,12,14-17H2,1-2H3
InChIKeyHMUPEHGKGBFOKK-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.39
Rot. Bonds7

About 7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine

7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine (PubChem CID 57389734) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine
PubChem CID57389734
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine
SMILESCc1c(C)n(Cc2ccccc2)c2ncnc(OCC3CCN(Cc4cccnc4)C3)c12
InChIInChI=1S/C26H29N5O/c1-19-20(2)31(16-21-7-4-3-5-8-21)25-24(19)26(29-18-28-25)32-17-23-10-12-30(15-23)14-22-9-6-11-27-13-22/h3-9,11,13,18,23H,10,12,14-17H2,1-2H3
InChIKeyHMUPEHGKGBFOKK-UHFFFAOYSA-N
XLogP4.39
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

Meriolin 3
CID 23727981
Meriolin 5
CID 23727982
Meriolin 6
CID 24801185
Meriolin 4
CID 24801697
2-Methoxy-6,7-Dimethyl-9-(4-Methylpyridin-3-Yl)imidazo[1,5-A]pyrido[3,2-E]pyrazine
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4-Chloranyl-7-[(4-Methoxy-3,5-Dimethyl-Pyridin-2-Yl)methyl]-5-(Phenylmethyl)pyrrolo[2,3-D]pyrimidin-2-Amine
CID 131704417
6-(4-methoxybenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444208
Meriolin 7
CID 24801186
US10399985, Example 34
CID 118278242
8-(2-Aminopyrimidin-4-yl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-amine
CID 9922607
7-neopentyl-6-((pyridin-4-yloxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 10155296
4-butoxy-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 10833355

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine (CID 57389734) is 7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine is Cc1c(C)n(Cc2ccccc2)c2ncnc(OCC3CCN(Cc4cccnc4)C3)c12.
What is the InChIKey of 7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine?
The InChIKey is HMUPEHGKGBFOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-19-20(2)31(16-21-7-4-3-5-8-21)25-24(19)26(29-18-28-25)32-17-23-10-12-30(15-23)14-22-9-6-11-27-13-22/h3-9,11,13,18,23H,10,12,14-17H2,1-2H3.
What are the key properties of 7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine?
7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine has a molecular weight of 427.55 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 57389734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).