4-chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine

C16H14ClF3N4O — CID 118443114

IUPAC4-chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine
SMILESCc1cc(C(C)n2cc3c(Cl)nccc3n2)ncc1OCC(F)(F)F
InChIInChI=1S/C16H14ClF3N4O/c1-9-5-13(22-6-14(9)25-8-16(18,19)20)10(2)24-7-11-12(23-24)3-4-21-15(11)17/h3-7,10H,8H2,1-2H3
InChIKeyVOLUITGFPCCIIF-UHFFFAOYSA-N
MW370.76 g/mol
LogP4.34
Rot. Bonds4

About 4-chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine

4-chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine (PubChem CID 118443114) has the molecular formula C16H14ClF3N4O and a molecular weight of 370.76 g/mol. Its IUPAC name is 4-chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine
PubChem CID118443114
Molecular FormulaC16H14ClF3N4O
Molecular Weight370.76 g/mol
Exact Mass370.08
IUPAC Name4-chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine
SMILESCc1cc(C(C)n2cc3c(Cl)nccc3n2)ncc1OCC(F)(F)F
InChIInChI=1S/C16H14ClF3N4O/c1-9-5-13(22-6-14(9)25-8-16(18,19)20)10(2)24-7-11-12(23-24)3-4-21-15(11)17/h3-7,10H,8H2,1-2H3
InChIKeyVOLUITGFPCCIIF-UHFFFAOYSA-N
XLogP4.34
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 11327794
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731838
3-[(2S)-2-amino-3-(2,3-difluorophenyl)propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731841
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-chloro-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16732276
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-chloro-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647438
3-[[4-[2-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 24823922
(e)-4-[2-(3,5-Dichloropyridin-4-yl)vinyl]-7-methoxy-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 24798273
8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinoline
CID 44189787
8-((3-chloropyridin-4-yl)methoxy)-2-methyl-4-(1-methyl-1H-pyrazol-5-yl)quinoline
CID 44190672
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-2-methyl-4-pyrazol-1-yl-quinoline
CID 44191225
3-Methoxy-2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466457
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine
CID 146185205

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine (CID 118443114) is 4-chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine is Cc1cc(C(C)n2cc3c(Cl)nccc3n2)ncc1OCC(F)(F)F.
What is the InChIKey of 4-chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine?
The InChIKey is VOLUITGFPCCIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O/c1-9-5-13(22-6-14(9)25-8-16(18,19)20)10(2)24-7-11-12(23-24)3-4-21-15(11)17/h3-7,10H,8H2,1-2H3.
What are the key properties of 4-chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine?
4-chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine has a molecular weight of 370.76 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118443114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).