N-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

C19H20F3N5O2 — CID 90118891

IUPACN-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCCNC(=O)c1nccc2nn(Cc3cnc(OCCC(F)(F)F)c(C)c3)cc12
InChIInChI=1S/C19H20F3N5O2/c1-3-23-17(28)16-14-11-27(26-15(14)4-6-24-16)10-13-8-12(2)18(25-9-13)29-7-5-19(20,21)22/h4,6,8-9,11H,3,5,7,10H2,1-2H3,(H,23,28)
InChIKeyDPTHTYGMSPBILD-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.26
Rot. Bonds7

About N-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

N-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90118891) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is N-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID90118891
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC NameN-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCCNC(=O)c1nccc2nn(Cc3cnc(OCCC(F)(F)F)c(C)c3)cc12
InChIInChI=1S/C19H20F3N5O2/c1-3-23-17(28)16-14-11-27(26-15(14)4-6-24-16)10-13-8-12(2)18(25-9-13)29-7-5-19(20,21)22/h4,6,8-9,11H,3,5,7,10H2,1-2H3,(H,23,28)
InChIKeyDPTHTYGMSPBILD-UHFFFAOYSA-N
XLogP3.26
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90118891) is N-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is CCNC(=O)c1nccc2nn(Cc3cnc(OCCC(F)(F)F)c(C)c3)cc12.
What is the InChIKey of N-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is DPTHTYGMSPBILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-3-23-17(28)16-14-11-27(26-15(14)4-6-24-16)10-13-8-12(2)18(25-9-13)29-7-5-19(20,21)22/h4,6,8-9,11H,3,5,7,10H2,1-2H3,(H,23,28).
What are the key properties of N-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
N-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90118891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).