N-(2-hydroxyethyl)-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide

C19H20F3N5O3 — CID 140861290

IUPACN-(2-hydroxyethyl)-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCc1c(OCC(F)(F)F)cncc1C(C)n1cc2c(C(=O)NCCO)nccc2n1
InChIInChI=1S/C19H20F3N5O3/c1-11-13(7-23-8-16(11)30-10-19(20,21)22)12(2)27-9-14-15(26-27)3-4-24-17(14)18(29)25-5-6-28/h3-4,7-9,12,28H,5-6,10H2,1-2H3,(H,25,29)
InChIKeyLNYQGORTSYZAKK-UHFFFAOYSA-N
MW423.40 g/mol
LogP2.41
Rot. Bonds7

About N-(2-hydroxyethyl)-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide

N-(2-hydroxyethyl)-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 140861290) has the molecular formula C19H20F3N5O3 and a molecular weight of 423.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID140861290
Molecular FormulaC19H20F3N5O3
Molecular Weight423.40 g/mol
Exact Mass423.15
IUPAC NameN-(2-hydroxyethyl)-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCc1c(OCC(F)(F)F)cncc1C(C)n1cc2c(C(=O)NCCO)nccc2n1
InChIInChI=1S/C19H20F3N5O3/c1-11-13(7-23-8-16(11)30-10-19(20,21)22)12(2)27-9-14-15(26-27)3-4-24-17(14)18(29)25-5-6-28/h3-4,7-9,12,28H,5-6,10H2,1-2H3,(H,25,29)
InChIKeyLNYQGORTSYZAKK-UHFFFAOYSA-N
XLogP2.41
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 52.41
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-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 140861290) is N-(2-hydroxyethyl)-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide is Cc1c(OCC(F)(F)F)cncc1C(C)n1cc2c(C(=O)NCCO)nccc2n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is LNYQGORTSYZAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3/c1-11-13(7-23-8-16(11)30-10-19(20,21)22)12(2)27-9-14-15(26-27)3-4-24-17(14)18(29)25-5-6-28/h3-4,7-9,12,28H,5-6,10H2,1-2H3,(H,25,29).
What are the key properties of N-(2-hydroxyethyl)-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
N-(2-hydroxyethyl)-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 140861290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).