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

C16H14ClF3N4O — CID 118443116

IUPAC4-chloro-2-[[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine
SMILESCc1cc(Cn2cc3c(Cl)nccc3n2)ncc1OCCC(F)(F)F
InChIInChI=1S/C16H14ClF3N4O/c1-10-6-11(22-7-14(10)25-5-3-16(18,19)20)8-24-9-12-13(23-24)2-4-21-15(12)17/h2,4,6-7,9H,3,5,8H2,1H3
InChIKeyFSSITDDMJUFIEV-UHFFFAOYSA-N
MW370.76 g/mol
LogP4.17
Rot. Bonds5

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

4-chloro-2-[[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine (PubChem CID 118443116) has the molecular formula C16H14ClF3N4O and a molecular weight of 370.76 g/mol. Its IUPAC name is 4-chloro-2-[[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-chloro-2-[[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine
PubChem CID118443116
Molecular FormulaC16H14ClF3N4O
Molecular Weight370.76 g/mol
Exact Mass370.08
IUPAC Name4-chloro-2-[[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine
SMILESCc1cc(Cn2cc3c(Cl)nccc3n2)ncc1OCCC(F)(F)F
InChIInChI=1S/C16H14ClF3N4O/c1-10-6-11(22-7-14(10)25-5-3-16(18,19)20)8-24-9-12-13(23-24)2-4-21-15(12)17/h2,4,6-7,9H,3,5,8H2,1H3
InChIKeyFSSITDDMJUFIEV-UHFFFAOYSA-N
XLogP4.17
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 54.17
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-chloro-2-[[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine (CID 118443116) is 4-chloro-2-[[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-chloro-2-[[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-chloro-2-[[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine is Cc1cc(Cn2cc3c(Cl)nccc3n2)ncc1OCCC(F)(F)F.
What is the InChIKey of 4-chloro-2-[[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine?
The InChIKey is FSSITDDMJUFIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O/c1-10-6-11(22-7-14(10)25-5-3-16(18,19)20)8-24-9-12-13(23-24)2-4-21-15(12)17/h2,4,6-7,9H,3,5,8H2,1H3.
What are the key properties of 4-chloro-2-[[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine?
4-chloro-2-[[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine has a molecular weight of 370.76 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[4-methyl-5-(3,3,3-trifluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118443116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).