N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide

C19H18F3N5O2 — CID 74539473

IUPACN-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCc1cc(Cn2cc3c(NC(=O)C4CC4)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C19H18F3N5O2/c1-11-6-12(7-24-18(11)29-10-19(20,21)22)8-27-9-14-15(26-27)4-5-23-16(14)25-17(28)13-2-3-13/h4-7,9,13H,2-3,8,10H2,1H3,(H,23,25,28)
InChIKeyRGVQKXUITQUHLY-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.47
Rot. Bonds6

About N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide

N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide (PubChem CID 74539473) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
PubChem CID74539473
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC NameN-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCc1cc(Cn2cc3c(NC(=O)C4CC4)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C19H18F3N5O2/c1-11-6-12(7-24-18(11)29-10-19(20,21)22)8-27-9-14-15(26-27)4-5-23-16(14)25-17(28)13-2-3-13/h4-7,9,13H,2-3,8,10H2,1H3,(H,23,25,28)
InChIKeyRGVQKXUITQUHLY-UHFFFAOYSA-N
XLogP3.47
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide (CID 74539473) is N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide is Cc1cc(Cn2cc3c(NC(=O)C4CC4)nccc3n2)cnc1OCC(F)(F)F.
What is the InChIKey of N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide?
The InChIKey is RGVQKXUITQUHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-11-6-12(7-24-18(11)29-10-19(20,21)22)8-27-9-14-15(26-27)4-5-23-16(14)25-17(28)13-2-3-13/h4-7,9,13H,2-3,8,10H2,1H3,(H,23,25,28).
What are the key properties of N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide?
N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide has a molecular weight of 405.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 74539473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).