6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide

C26H31FN6O3 — CID 118206365

IUPAC6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1NC1CCCC(CO)C1
InChIInChI=1S/C26H31FN6O3/c1-26(2,36)22(27)14-31-25(35)20-13-29-23(10-21(20)32-19-5-3-4-16(9-19)15-34)33-7-6-18-8-17(11-28)12-30-24(18)33/h6-8,10,12-13,16,19,22,34,36H,3-5,9,14-15H2,1-2H3,(H,29,32)(H,31,35)/t16?,19?,22-/m1/s1
InChIKeyCRPCDRSYNCWGOQ-ORWMALAUSA-N
MW494.57 g/mol
LogP3.09
Rot. Bonds8

About 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide (PubChem CID 118206365) has the molecular formula C26H31FN6O3 and a molecular weight of 494.57 g/mol. Its IUPAC name is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide
PubChem CID118206365
Molecular FormulaC26H31FN6O3
Molecular Weight494.57 g/mol
Exact Mass494.24
IUPAC Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1NC1CCCC(CO)C1
InChIInChI=1S/C26H31FN6O3/c1-26(2,36)22(27)14-31-25(35)20-13-29-23(10-21(20)32-19-5-3-4-16(9-19)15-34)33-7-6-18-8-17(11-28)12-30-24(18)33/h6-8,10,12-13,16,19,22,34,36H,3-5,9,14-15H2,1-2H3,(H,29,32)(H,31,35)/t16?,19?,22-/m1/s1
InChIKeyCRPCDRSYNCWGOQ-ORWMALAUSA-N
XLogP3.09
TPSA136.09 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide (CID 118206365) is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1NC1CCCC(CO)C1.
What is the InChIKey of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide?
The InChIKey is CRPCDRSYNCWGOQ-ORWMALAUSA-N. The full InChI is InChI=1S/C26H31FN6O3/c1-26(2,36)22(27)14-31-25(35)20-13-29-23(10-21(20)32-19-5-3-4-16(9-19)15-34)33-7-6-18-8-17(11-28)12-30-24(18)33/h6-8,10,12-13,16,19,22,34,36H,3-5,9,14-15H2,1-2H3,(H,29,32)(H,31,35)/t16?,19?,22-/m1/s1.
What are the key properties of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide?
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 3.09, 8 rotatable bonds, 4 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-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 118206365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).