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

C19H20F3N5O3 — CID 90119277

IUPACN-(2-hydroxyethyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCc1cc(Cn2cc3c(C(=O)NCCO)nccc3n2)cnc1COCC(F)(F)F
InChIInChI=1S/C19H20F3N5O3/c1-12-6-13(7-25-16(12)10-30-11-19(20,21)22)8-27-9-14-15(26-27)2-3-23-17(14)18(29)24-4-5-28/h2-3,6-7,9,28H,4-5,8,10-11H2,1H3,(H,24,29)
InChIKeyYFPSWEGGKBNWDB-UHFFFAOYSA-N
MW423.40 g/mol
LogP1.98
Rot. Bonds8

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

N-(2-hydroxyethyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90119277) has the molecular formula C19H20F3N5O3 and a molecular weight of 423.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID90119277
Molecular FormulaC19H20F3N5O3
Molecular Weight423.40 g/mol
Exact Mass423.15
IUPAC NameN-(2-hydroxyethyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCc1cc(Cn2cc3c(C(=O)NCCO)nccc3n2)cnc1COCC(F)(F)F
InChIInChI=1S/C19H20F3N5O3/c1-12-6-13(7-25-16(12)10-30-11-19(20,21)22)8-27-9-14-15(26-27)2-3-23-17(14)18(29)24-4-5-28/h2-3,6-7,9,28H,4-5,8,10-11H2,1H3,(H,24,29)
InChIKeyYFPSWEGGKBNWDB-UHFFFAOYSA-N
XLogP1.98
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90119277) is N-(2-hydroxyethyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is Cc1cc(Cn2cc3c(C(=O)NCCO)nccc3n2)cnc1COCC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is YFPSWEGGKBNWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3/c1-12-6-13(7-25-16(12)10-30-11-19(20,21)22)8-27-9-14-15(26-27)2-3-23-17(14)18(29)24-4-5-28/h2-3,6-7,9,28H,4-5,8,10-11H2,1H3,(H,24,29).
What are the key properties of N-(2-hydroxyethyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
N-(2-hydroxyethyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90119277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).