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

C19H20F3N5O3 — CID 90118652

IUPACN-(2-hydroxyethyl)-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCc1cc(Cn2cc3c(C(=O)NCCO)nccc3n2)cnc1OCCC(F)(F)F
InChIInChI=1S/C19H20F3N5O3/c1-12-8-13(9-25-18(12)30-7-3-19(20,21)22)10-27-11-14-15(26-27)2-4-23-16(14)17(29)24-5-6-28/h2,4,8-9,11,28H,3,5-7,10H2,1H3,(H,24,29)
InChIKeyJZVWLYZQVIOKST-UHFFFAOYSA-N
MW423.40 g/mol
LogP2.24
Rot. Bonds8

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

N-(2-hydroxyethyl)-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90118652) 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-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID90118652
Molecular FormulaC19H20F3N5O3
Molecular Weight423.40 g/mol
Exact Mass423.15
IUPAC NameN-(2-hydroxyethyl)-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCc1cc(Cn2cc3c(C(=O)NCCO)nccc3n2)cnc1OCCC(F)(F)F
InChIInChI=1S/C19H20F3N5O3/c1-12-8-13(9-25-18(12)30-7-3-19(20,21)22)10-27-11-14-15(26-27)2-4-23-16(14)17(29)24-5-6-28/h2,4,8-9,11,28H,3,5-7,10H2,1H3,(H,24,29)
InChIKeyJZVWLYZQVIOKST-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90118652) is N-(2-hydroxyethyl)-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-(2-hydroxyethyl)-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is Cc1cc(Cn2cc3c(C(=O)NCCO)nccc3n2)cnc1OCCC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is JZVWLYZQVIOKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3/c1-12-8-13(9-25-18(12)30-7-3-19(20,21)22)10-27-11-14-15(26-27)2-4-23-16(14)17(29)24-5-6-28/h2,4,8-9,11,28H,3,5-7,10H2,1H3,(H,24,29).
What are the key properties of N-(2-hydroxyethyl)-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
N-(2-hydroxyethyl)-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 2.24, 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-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90118652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).