N-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide

C19H17F3N4O2 — CID 74539753

IUPACN-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nccc2nn(Cc3ccc(OCC(F)(F)F)cc3)cc12)C1CC1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)11-28-14-5-1-12(2-6-14)9-26-10-15-16(25-26)7-8-23-17(15)24-18(27)13-3-4-13/h1-2,5-8,10,13H,3-4,9,11H2,(H,23,24,27)
InChIKeyCKKPNUOALXQDKV-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.77
Rot. Bonds6

About N-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide

N-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide (PubChem CID 74539753) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
PubChem CID74539753
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nccc2nn(Cc3ccc(OCC(F)(F)F)cc3)cc12)C1CC1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)11-28-14-5-1-12(2-6-14)9-26-10-15-16(25-26)7-8-23-17(15)24-18(27)13-3-4-13/h1-2,5-8,10,13H,3-4,9,11H2,(H,23,24,27)
InChIKeyCKKPNUOALXQDKV-UHFFFAOYSA-N
XLogP3.77
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide (CID 74539753) is N-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide is O=C(Nc1nccc2nn(Cc3ccc(OCC(F)(F)F)cc3)cc12)C1CC1.
What is the InChIKey of N-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide?
The InChIKey is CKKPNUOALXQDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)11-28-14-5-1-12(2-6-14)9-26-10-15-16(25-26)7-8-23-17(15)24-18(27)13-3-4-13/h1-2,5-8,10,13H,3-4,9,11H2,(H,23,24,27).
What are the key properties of N-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide?
N-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide has a molecular weight of 390.37 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 74539753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).