6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide

C24H26N6O3S — CID 118206306

IUPAC6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)C1CCC(NC(=O)c2cnc(-n3ccc4cc(C#N)cnc43)cc2NC2CC2)CC1
InChIInChI=1S/C24H26N6O3S/c1-34(32,33)19-6-4-18(5-7-19)29-24(31)20-14-26-22(11-21(20)28-17-2-3-17)30-9-8-16-10-15(12-25)13-27-23(16)30/h8-11,13-14,17-19H,2-7H2,1H3,(H,26,28)(H,29,31)
InChIKeyGOSOQUZTNBESOR-UHFFFAOYSA-N
MW478.58 g/mol
LogP2.95
Rot. Bonds6

About 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide (PubChem CID 118206306) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide
PubChem CID118206306
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)C1CCC(NC(=O)c2cnc(-n3ccc4cc(C#N)cnc43)cc2NC2CC2)CC1
InChIInChI=1S/C24H26N6O3S/c1-34(32,33)19-6-4-18(5-7-19)29-24(31)20-14-26-22(11-21(20)28-17-2-3-17)30-9-8-16-10-15(12-25)13-27-23(16)30/h8-11,13-14,17-19H,2-7H2,1H3,(H,26,28)(H,29,31)
InChIKeyGOSOQUZTNBESOR-UHFFFAOYSA-N
XLogP2.95
TPSA129.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide (CID 118206306) is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide is CS(=O)(=O)C1CCC(NC(=O)c2cnc(-n3ccc4cc(C#N)cnc43)cc2NC2CC2)CC1.
What is the InChIKey of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is GOSOQUZTNBESOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-34(32,33)19-6-4-18(5-7-19)29-24(31)20-14-26-22(11-21(20)28-17-2-3-17)30-9-8-16-10-15(12-25)13-27-23(16)30/h8-11,13-14,17-19H,2-7H2,1H3,(H,26,28)(H,29,31).
What are the key properties of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide?
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 478.58 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-(4-methylsulfonylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 118206306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).