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

C24H28N6O3S — CID 118206222

IUPAC6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfonylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C24H28N6O3S/c1-15(2)28-21-11-22(30-9-8-17-10-16(12-25)13-27-23(17)30)26-14-20(21)24(31)29-18-4-6-19(7-5-18)34(3,32)33/h8-11,13-15,18-19H,4-7H2,1-3H3,(H,26,28)(H,29,31)
InChIKeyPFBHJYQLGACXDP-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.20
Rot. Bonds6

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

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfonylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206222) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfonylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfonylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118206222
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfonylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C24H28N6O3S/c1-15(2)28-21-11-22(30-9-8-17-10-16(12-25)13-27-23(17)30)26-14-20(21)24(31)29-18-4-6-19(7-5-18)34(3,32)33/h8-11,13-15,18-19H,4-7H2,1-3H3,(H,26,28)(H,29,31)
InChIKeyPFBHJYQLGACXDP-UHFFFAOYSA-N
XLogP3.20
TPSA129.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.20
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)-N-(4-methylsulfonylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfonylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206222) is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfonylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfonylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfonylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(S(C)(=O)=O)CC1.
What is the InChIKey of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfonylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is PFBHJYQLGACXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-15(2)28-21-11-22(30-9-8-17-10-16(12-25)13-27-23(17)30)26-14-20(21)24(31)29-18-4-6-19(7-5-18)34(3,32)33/h8-11,13-15,18-19H,4-7H2,1-3H3,(H,26,28)(H,29,31).
What are the key properties of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfonylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfonylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 3.20, 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)-N-(4-methylsulfonylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).