6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide

C25H30FN7O3 — CID 118206748

IUPAC6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
SMILESCC(C)(O)C(F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1NCCN1CCOCC1
InChIInChI=1S/C25H30FN7O3/c1-25(2,35)21(26)16-31-24(34)19-15-29-22(12-20(19)28-4-6-32-7-9-36-10-8-32)33-5-3-18-11-17(13-27)14-30-23(18)33/h3,5,11-12,14-15,21,35H,4,6-10,16H2,1-2H3,(H,28,29)(H,31,34)
InChIKeyKTBUUNJFPVFEAR-UHFFFAOYSA-N
MW495.56 g/mol
LogP1.88
Rot. Bonds9

About 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide (PubChem CID 118206748) has the molecular formula C25H30FN7O3 and a molecular weight of 495.56 g/mol. Its IUPAC name is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
PubChem CID118206748
Molecular FormulaC25H30FN7O3
Molecular Weight495.56 g/mol
Exact Mass495.24
IUPAC Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
SMILESCC(C)(O)C(F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1NCCN1CCOCC1
InChIInChI=1S/C25H30FN7O3/c1-25(2,35)21(26)16-31-24(34)19-15-29-22(12-20(19)28-4-6-32-7-9-36-10-8-32)33-5-3-18-11-17(13-27)14-30-23(18)33/h3,5,11-12,14-15,21,35H,4,6-10,16H2,1-2H3,(H,28,29)(H,31,34)
InChIKeyKTBUUNJFPVFEAR-UHFFFAOYSA-N
XLogP1.88
TPSA128.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylmethylamino)pyridine-3-carboxamide
CID 118206768
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118206233
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-hydroxypropan-2-ylamino)pyridine-3-carboxamide
CID 118206073
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]amino]pyridine-3-carboxamide
CID 118206612
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118206091
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 118206088
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide
CID 118206694
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 118206192
4-(3-carbamoylanilino)-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 118206981
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide
CID 118206604
4-[4-[(Z)-N-amino-N-ethylcarbamohydrazonoyl]anilino]-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 144881665
6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxamide
CID 118206623

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide (CID 118206748) is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1NCCN1CCOCC1.
What is the InChIKey of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide?
The InChIKey is KTBUUNJFPVFEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7O3/c1-25(2,35)21(26)16-31-24(34)19-15-29-22(12-20(19)28-4-6-32-7-9-36-10-8-32)33-5-3-18-11-17(13-27)14-30-23(18)33/h3,5,11-12,14-15,21,35H,4,6-10,16H2,1-2H3,(H,28,29)(H,31,34).
What are the key properties of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide?
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 1.88, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).