6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide

C23H25F2N7O2 — CID 139507995

IUPAC6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2cnn3cc(C#N)cnc23)cc1N[C@@H]1CCC[C@@H]1F
InChIInChI=1S/C23H25F2N7O2/c1-23(2,34)20(25)11-29-22(33)15-9-27-18(6-19(15)31-17-5-3-4-16(17)24)14-10-30-32-12-13(7-26)8-28-21(14)32/h6,8-10,12,16-17,20,34H,3-5,11H2,1-2H3,(H,27,31)(H,29,33)/t16-,17+,20+/m0/s1
InChIKeySJZCDMMNUSOTBB-SQGPQFPESA-N
MW469.50 g/mol
LogP2.80
Rot. Bonds7

About 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide

6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (PubChem CID 139507995) has the molecular formula C23H25F2N7O2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
PubChem CID139507995
Molecular FormulaC23H25F2N7O2
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC Name6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2cnn3cc(C#N)cnc23)cc1N[C@@H]1CCC[C@@H]1F
InChIInChI=1S/C23H25F2N7O2/c1-23(2,34)20(25)11-29-22(33)15-9-27-18(6-19(15)31-17-5-3-4-16(17)24)14-10-30-32-12-13(7-26)8-28-21(14)32/h6,8-10,12,16-17,20,34H,3-5,11H2,1-2H3,(H,27,31)(H,29,33)/t16-,17+,20+/m0/s1
InChIKeySJZCDMMNUSOTBB-SQGPQFPESA-N
XLogP2.80
TPSA128.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The IUPAC name of 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (CID 139507995) is 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2cnn3cc(C#N)cnc23)cc1N[C@@H]1CCC[C@@H]1F.
What is the InChIKey of 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The InChIKey is SJZCDMMNUSOTBB-SQGPQFPESA-N. The full InChI is InChI=1S/C23H25F2N7O2/c1-23(2,34)20(25)11-29-22(33)15-9-27-18(6-19(15)31-17-5-3-4-16(17)24)14-10-30-32-12-13(7-26)8-28-21(14)32/h6,8-10,12,16-17,20,34H,3-5,11H2,1-2H3,(H,27,31)(H,29,33)/t16-,17+,20+/m0/s1.
What are the key properties of 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[(1R,2S)-2-fluorocyclopentyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 139507995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).