N-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

C19H20F3N5O3 — CID 90118556

IUPACN-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCc1cc(Cn2cc3c(C(=O)NC[C@@H](C)O)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C19H20F3N5O3/c1-11-5-13(7-25-18(11)30-10-19(20,21)22)8-27-9-14-15(26-27)3-4-23-16(14)17(29)24-6-12(2)28/h3-5,7,9,12,28H,6,8,10H2,1-2H3,(H,24,29)/t12-/m1/s1
InChIKeyOMZGYQROAUCNJI-GFCCVEGCSA-N
MW423.40 g/mol
LogP2.23
Rot. Bonds7

About N-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

N-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90118556) has the molecular formula C19H20F3N5O3 and a molecular weight of 423.40 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID90118556
Molecular FormulaC19H20F3N5O3
Molecular Weight423.40 g/mol
Exact Mass423.15
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCc1cc(Cn2cc3c(C(=O)NC[C@@H](C)O)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C19H20F3N5O3/c1-11-5-13(7-25-18(11)30-10-19(20,21)22)8-27-9-14-15(26-27)3-4-23-16(14)17(29)24-6-12(2)28/h3-5,7,9,12,28H,6,8,10H2,1-2H3,(H,24,29)/t12-/m1/s1
InChIKeyOMZGYQROAUCNJI-GFCCVEGCSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90118556) is N-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is Cc1cc(Cn2cc3c(C(=O)NC[C@@H](C)O)nccc3n2)cnc1OCC(F)(F)F.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is OMZGYQROAUCNJI-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20F3N5O3/c1-11-5-13(7-25-18(11)30-10-19(20,21)22)8-27-9-14-15(26-27)3-4-23-16(14)17(29)24-6-12(2)28/h3-5,7,9,12,28H,6,8,10H2,1-2H3,(H,24,29)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
N-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90118556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).