6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide

C24H33N7O4S — CID 90183283

IUPAC6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)c(C(=O)NCCS(C)(=O)=O)cn4C(C)C)n2)CC1
InChIInChI=1S/C24H33N7O4S/c1-16(2)31-15-19(23(32)25-9-12-36(4,33)34)18-14-27-22(13-20(18)31)28-21-5-8-26-24(29-21)30-10-6-17(35-3)7-11-30/h5,8,13-17H,6-7,9-12H2,1-4H3,(H,25,32)(H,26,27,28,29)
InChIKeyYSXWKRJPXNKWKL-UHFFFAOYSA-N
MW515.64 g/mol
LogP2.54
Rot. Bonds9

About 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide

6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 90183283) has the molecular formula C24H33N7O4S and a molecular weight of 515.64 g/mol. Its IUPAC name is 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID90183283
Molecular FormulaC24H33N7O4S
Molecular Weight515.64 g/mol
Exact Mass515.23
IUPAC Name6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)c(C(=O)NCCS(C)(=O)=O)cn4C(C)C)n2)CC1
InChIInChI=1S/C24H33N7O4S/c1-16(2)31-15-19(23(32)25-9-12-36(4,33)34)18-14-27-22(13-20(18)31)28-21-5-8-26-24(29-21)30-10-6-17(35-3)7-11-30/h5,8,13-17H,6-7,9-12H2,1-4H3,(H,25,32)(H,26,27,28,29)
InChIKeyYSXWKRJPXNKWKL-UHFFFAOYSA-N
XLogP2.54
TPSA131.34 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.64
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide with MolForge

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Related Compounds

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CID 166177700
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CID 166177734
US11459315, Example 66
CID 166177741
6-[[2-(1-Cyclopropylsulfonylpyrazol-4-Yl)pyrimidin-4-Yl]amino]-~{n}-(Oxan-4-Yl)-1-Propan-2-Yl-Pyrrolo[3,2-C]pyridine-3-Carboxamide
CID 118668055
(4-Ethoxypiperidin-1-yl)-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone
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CID 58137981
4-(3-carbamoylanilino)-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide
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CID 118206189
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfonylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206222
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfonylcyclohexyl)-4-(oxan-4-ylamino)pyridine-3-carboxamide
CID 118206296
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide
CID 118206306
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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide (CID 90183283) is 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide is COC1CCN(c2nccc(Nc3cc4c(cn3)c(C(=O)NCCS(C)(=O)=O)cn4C(C)C)n2)CC1.
What is the InChIKey of 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is YSXWKRJPXNKWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O4S/c1-16(2)31-15-19(23(32)25-9-12-36(4,33)34)18-14-27-22(13-20(18)31)28-21-5-8-26-24(29-21)30-10-6-17(35-3)7-11-30/h5,8,13-17H,6-7,9-12H2,1-4H3,(H,25,32)(H,26,27,28,29).
What are the key properties of 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide?
6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 515.64 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 90183283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).