N-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide

C17H15ClF3N5O2 — CID 74539253

IUPACN-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
SMILESCCC(=O)Nc1nccc2nn(Cc3cnc(OCC(F)(F)F)c(Cl)c3)cc12
InChIInChI=1S/C17H15ClF3N5O2/c1-2-14(27)24-15-11-8-26(25-13(11)3-4-22-15)7-10-5-12(18)16(23-6-10)28-9-17(19,20)21/h3-6,8H,2,7,9H2,1H3,(H,22,24,27)
InChIKeyOEEPFRYKGOSOCB-UHFFFAOYSA-N
MW413.79 g/mol
LogP3.82
Rot. Bonds6

About N-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide

N-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide (PubChem CID 74539253) has the molecular formula C17H15ClF3N5O2 and a molecular weight of 413.79 g/mol. Its IUPAC name is N-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
PubChem CID74539253
Molecular FormulaC17H15ClF3N5O2
Molecular Weight413.79 g/mol
Exact Mass413.09
IUPAC NameN-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
SMILESCCC(=O)Nc1nccc2nn(Cc3cnc(OCC(F)(F)F)c(Cl)c3)cc12
InChIInChI=1S/C17H15ClF3N5O2/c1-2-14(27)24-15-11-8-26(25-13(11)3-4-22-15)7-10-5-12(18)16(23-6-10)28-9-17(19,20)21/h3-6,8H,2,7,9H2,1H3,(H,22,24,27)
InChIKeyOEEPFRYKGOSOCB-UHFFFAOYSA-N
XLogP3.82
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide?
The IUPAC name of N-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide (CID 74539253) is N-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide.
What is the SMILES notation for N-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide?
The canonical SMILES for N-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide is CCC(=O)Nc1nccc2nn(Cc3cnc(OCC(F)(F)F)c(Cl)c3)cc12.
What is the InChIKey of N-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide?
The InChIKey is OEEPFRYKGOSOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N5O2/c1-2-14(27)24-15-11-8-26(25-13(11)3-4-22-15)7-10-5-12(18)16(23-6-10)28-9-17(19,20)21/h3-6,8H,2,7,9H2,1H3,(H,22,24,27).
What are the key properties of N-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide?
N-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide has a molecular weight of 413.79 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide is sourced from PubChem (CID 74539253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).