4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-[(4-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide

C23H26F4N6O2 — CID 123587414

IUPAC4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-[(4-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)C(F)CNC(=O)c1cnc(Nc2ccn3nccc3c2F)cc1NC1CCCC1(F)F
InChIInChI=1S/C23H26F4N6O2/c1-22(2,35)17(24)12-29-21(34)13-11-28-19(10-15(13)31-18-4-3-7-23(18,26)27)32-14-6-9-33-16(20(14)25)5-8-30-33/h5-6,8-11,17-18,35H,3-4,7,12H2,1-2H3,(H,29,34)(H2,28,31,32)
InChIKeyOASUOIJCEUEOPA-UHFFFAOYSA-N
MW494.49 g/mol
LogP4.05
Rot. Bonds8

About 4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-[(4-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide

4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-[(4-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide (PubChem CID 123587414) has the molecular formula C23H26F4N6O2 and a molecular weight of 494.49 g/mol. Its IUPAC name is 4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-[(4-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-[(4-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide
PubChem CID123587414
Molecular FormulaC23H26F4N6O2
Molecular Weight494.49 g/mol
Exact Mass494.21
IUPAC Name4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-[(4-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)C(F)CNC(=O)c1cnc(Nc2ccn3nccc3c2F)cc1NC1CCCC1(F)F
InChIInChI=1S/C23H26F4N6O2/c1-22(2,35)17(24)12-29-21(34)13-11-28-19(10-15(13)31-18-4-3-7-23(18,26)27)32-14-6-9-33-16(20(14)25)5-8-30-33/h5-6,8-11,17-18,35H,3-4,7,12H2,1-2H3,(H,29,34)(H2,28,31,32)
InChIKeyOASUOIJCEUEOPA-UHFFFAOYSA-N
XLogP4.05
TPSA103.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.49
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-[(4-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-[(4-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide (CID 123587414) is 4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-[(4-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-[(4-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-[(4-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(Nc2ccn3nccc3c2F)cc1NC1CCCC1(F)F.
What is the InChIKey of 4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-[(4-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide?
The InChIKey is OASUOIJCEUEOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F4N6O2/c1-22(2,35)17(24)12-29-21(34)13-11-28-19(10-15(13)31-18-4-3-7-23(18,26)27)32-14-6-9-33-16(20(14)25)5-8-30-33/h5-6,8-11,17-18,35H,3-4,7,12H2,1-2H3,(H,29,34)(H2,28,31,32).
What are the key properties of 4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-[(4-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide?
4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-[(4-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide has a molecular weight of 494.49 g/mol, XLogP of 4.05, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-[(4-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 123587414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).