7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine

C27H35N5O2S — CID 153208731

IUPAC7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine
SMILESCC(C)c1c(-c2cn(C)c3ncncc23)[nH]c2ccc(C3CCC(CCCS(C)(=O)=O)CC3)nc12
InChIInChI=1S/C27H35N5O2S/c1-17(2)24-25(21-15-32(3)27-20(21)14-28-16-29-27)31-23-12-11-22(30-26(23)24)19-9-7-18(8-10-19)6-5-13-35(4,33)34/h11-12,14-19,31H,5-10,13H2,1-4H3
InChIKeyWLIRIESNOWUXLY-UHFFFAOYSA-N
MW493.68 g/mol
LogP5.73
Rot. Bonds7

About 7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine

7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine (PubChem CID 153208731) has the molecular formula C27H35N5O2S and a molecular weight of 493.68 g/mol. Its IUPAC name is 7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine
PubChem CID153208731
Molecular FormulaC27H35N5O2S
Molecular Weight493.68 g/mol
Exact Mass493.25
IUPAC Name7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine
SMILESCC(C)c1c(-c2cn(C)c3ncncc23)[nH]c2ccc(C3CCC(CCCS(C)(=O)=O)CC3)nc12
InChIInChI=1S/C27H35N5O2S/c1-17(2)24-25(21-15-32(3)27-20(21)14-28-16-29-27)31-23-12-11-22(30-26(23)24)19-9-7-18(8-10-19)6-5-13-35(4,33)34/h11-12,14-19,31H,5-10,13H2,1-4H3
InChIKeyWLIRIESNOWUXLY-UHFFFAOYSA-N
XLogP5.73
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.68
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

7,8-dimethyl-6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 138686650
N-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine
CID 138686779
N-[4-[2-[1-(2-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxan-4-amine
CID 138686278
1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one
CID 138686638
3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine
CID 138686377
3-[4-[2-[1-(isocyanomethyl)pyrrolo[2,3-b]pyridin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-N,N-dimethylpropanamide
CID 148748342
7,8-dimethyl-6-[5-[(1S,5R)-3-(2-methylsulfonylethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 138686718
1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 148671431
3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]propanenitrile
CID 138686610
N-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-N-methylacetamide
CID 138686257
2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine
CID 159859254
4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1-(nitromethyl)cyclohexan-1-ol
CID 138686926

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine (CID 153208731) is 7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine is CC(C)c1c(-c2cn(C)c3ncncc23)[nH]c2ccc(C3CCC(CCCS(C)(=O)=O)CC3)nc12.
What is the InChIKey of 7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is WLIRIESNOWUXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2S/c1-17(2)24-25(21-15-32(3)27-20(21)14-28-16-29-27)31-23-12-11-22(30-26(23)24)19-9-7-18(8-10-19)6-5-13-35(4,33)34/h11-12,14-19,31H,5-10,13H2,1-4H3.
What are the key properties of 7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine?
7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 493.68 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 153208731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).