5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile

C19H19F3N6O2 — CID 136962929

IUPAC5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile
SMILESCc1cc(N2CCC(c3[nH]nc4c3[C@@H](C(F)(F)F)[C@@H](O)C(=O)N4)CC2)cnc1C#N
InChIInChI=1S/C19H19F3N6O2/c1-9-6-11(8-24-12(9)7-23)28-4-2-10(3-5-28)15-13-14(19(20,21)22)16(29)18(30)25-17(13)27-26-15/h6,8,10,14,16,29H,2-5H2,1H3,(H2,25,26,27,30)/t14-,16-/m1/s1
InChIKeyYSWOTFYQFSBFNX-GDBMZVCRSA-N
MW420.40 g/mol
LogP2.33
Rot. Bonds2

About 5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile

5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile (PubChem CID 136962929) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is 5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile
PubChem CID136962929
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC Name5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile
SMILESCc1cc(N2CCC(c3[nH]nc4c3[C@@H](C(F)(F)F)[C@@H](O)C(=O)N4)CC2)cnc1C#N
InChIInChI=1S/C19H19F3N6O2/c1-9-6-11(8-24-12(9)7-23)28-4-2-10(3-5-28)15-13-14(19(20,21)22)16(29)18(30)25-17(13)27-26-15/h6,8,10,14,16,29H,2-5H2,1H3,(H2,25,26,27,30)/t14-,16-/m1/s1
InChIKeyYSWOTFYQFSBFNX-GDBMZVCRSA-N
XLogP2.33
TPSA117.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile?
The IUPAC name of 5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile (CID 136962929) is 5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile?
The canonical SMILES for 5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile is Cc1cc(N2CCC(c3[nH]nc4c3[C@@H](C(F)(F)F)[C@@H](O)C(=O)N4)CC2)cnc1C#N.
What is the InChIKey of 5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile?
The InChIKey is YSWOTFYQFSBFNX-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-9-6-11(8-24-12(9)7-23)28-4-2-10(3-5-28)15-13-14(19(20,21)22)16(29)18(30)25-17(13)27-26-15/h6,8,10,14,16,29H,2-5H2,1H3,(H2,25,26,27,30)/t14-,16-/m1/s1.
What are the key properties of 5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile?
5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile has a molecular weight of 420.40 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 136962929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).