N-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

C18H18F3N5O3 — CID 90118476

IUPACN-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESO=C(NCCCO)c1nccc2nn(Cc3ccc(OCC(F)(F)F)nc3)cc12
InChIInChI=1S/C18H18F3N5O3/c19-18(20,21)11-29-15-3-2-12(8-24-15)9-26-10-13-14(25-26)4-6-22-16(13)17(28)23-5-1-7-27/h2-4,6,8,10,27H,1,5,7,9,11H2,(H,23,28)
InChIKeyNGSTYUMUHBZSMA-UHFFFAOYSA-N
MW409.37 g/mol
LogP1.93
Rot. Bonds8

About N-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

N-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90118476) has the molecular formula C18H18F3N5O3 and a molecular weight of 409.37 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID90118476
Molecular FormulaC18H18F3N5O3
Molecular Weight409.37 g/mol
Exact Mass409.14
IUPAC NameN-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESO=C(NCCCO)c1nccc2nn(Cc3ccc(OCC(F)(F)F)nc3)cc12
InChIInChI=1S/C18H18F3N5O3/c19-18(20,21)11-29-15-3-2-12(8-24-15)9-26-10-13-14(25-26)4-6-22-16(13)17(28)23-5-1-7-27/h2-4,6,8,10,27H,1,5,7,9,11H2,(H,23,28)
InChIKeyNGSTYUMUHBZSMA-UHFFFAOYSA-N
XLogP1.93
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-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

Related Compounds

N-(3-hydroxypropyl)-2-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118662
2-[[4-(2,2-difluoropropoxy)-3-methylphenyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118695
N-(2-acetamidoethyl)-2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118927
2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide
CID 90119338
2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119151
N-[2-[(2-hydroxy-2-methylpropanoyl)amino]ethyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119186
N-(2-hydroxyethyl)-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118652
N-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118556
N-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118860
2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118979
N-(2-hydroxyethyl)-2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118944
N-[(2S)-1-hydroxypropan-2-yl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119273

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90118476) is N-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is O=C(NCCCO)c1nccc2nn(Cc3ccc(OCC(F)(F)F)nc3)cc12.
What is the InChIKey of N-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is NGSTYUMUHBZSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O3/c19-18(20,21)11-29-15-3-2-12(8-24-15)9-26-10-13-14(25-26)4-6-22-16(13)17(28)23-5-1-7-27/h2-4,6,8,10,27H,1,5,7,9,11H2,(H,23,28).
What are the key properties of N-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
N-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 409.37 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90118476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).