N-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H21F3N6O2 — CID 164605204

IUPACN-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(O[C@@H]2CNC[C@H](C(F)(F)F)C2)cn1
InChIInChI=1S/C23H21F3N6O2/c24-23(25,26)15-6-18(11-28-10-15)34-20-12-29-16(9-27)7-19(20)14-3-4-32-17(5-14)8-21(31-32)30-22(33)13-1-2-13/h3-5,7-8,12-13,15,18,28H,1-2,6,10-11H2,(H,30,31,33)/t15-,18+/m1/s1
InChIKeyHNTIHJQPQITWLA-QAPCUYQASA-N
MW470.46 g/mol
LogP3.54
Rot. Bonds5

About N-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 164605204) has the molecular formula C23H21F3N6O2 and a molecular weight of 470.46 g/mol. Its IUPAC name is N-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID164605204
Molecular FormulaC23H21F3N6O2
Molecular Weight470.46 g/mol
Exact Mass470.17
IUPAC NameN-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(O[C@@H]2CNC[C@H](C(F)(F)F)C2)cn1
InChIInChI=1S/C23H21F3N6O2/c24-23(25,26)15-6-18(11-28-10-15)34-20-12-29-16(9-27)7-19(20)14-3-4-32-17(5-14)8-21(31-32)30-22(33)13-1-2-13/h3-5,7-8,12-13,15,18,28H,1-2,6,10-11H2,(H,30,31,33)/t15-,18+/m1/s1
InChIKeyHNTIHJQPQITWLA-QAPCUYQASA-N
XLogP3.54
TPSA104.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 164605204) is N-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is N#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(O[C@@H]2CNC[C@H](C(F)(F)F)C2)cn1.
What is the InChIKey of N-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is HNTIHJQPQITWLA-QAPCUYQASA-N. The full InChI is InChI=1S/C23H21F3N6O2/c24-23(25,26)15-6-18(11-28-10-15)34-20-12-29-16(9-27)7-19(20)14-3-4-32-17(5-14)8-21(31-32)30-22(33)13-1-2-13/h3-5,7-8,12-13,15,18,28H,1-2,6,10-11H2,(H,30,31,33)/t15-,18+/m1/s1.
What are the key properties of N-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 470.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-cyano-5-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164605204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).