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

C20H20F3N5O2 — CID 90119234

IUPACN-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCc1cc2nn(Cc3cnc(OCC(F)(F)F)c(C)c3)cc2c(NC(=O)C2CC2)n1
InChIInChI=1S/C20H20F3N5O2/c1-11-5-13(7-24-19(11)30-10-20(21,22)23)8-28-9-15-16(27-28)6-12(2)25-17(15)26-18(29)14-3-4-14/h5-7,9,14H,3-4,8,10H2,1-2H3,(H,25,26,29)
InChIKeySEUQYORBZQSYOB-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.78
Rot. Bonds6

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

N-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide (PubChem CID 90119234) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
PubChem CID90119234
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC NameN-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCc1cc2nn(Cc3cnc(OCC(F)(F)F)c(C)c3)cc2c(NC(=O)C2CC2)n1
InChIInChI=1S/C20H20F3N5O2/c1-11-5-13(7-24-19(11)30-10-20(21,22)23)8-28-9-15-16(27-28)6-12(2)25-17(15)26-18(29)14-3-4-14/h5-7,9,14H,3-4,8,10H2,1-2H3,(H,25,26,29)
InChIKeySEUQYORBZQSYOB-UHFFFAOYSA-N
XLogP3.78
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide (CID 90119234) is N-[6-methyl-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-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide is Cc1cc2nn(Cc3cnc(OCC(F)(F)F)c(C)c3)cc2c(NC(=O)C2CC2)n1.
What is the InChIKey of N-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide?
The InChIKey is SEUQYORBZQSYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-11-5-13(7-24-19(11)30-10-20(21,22)23)8-28-9-15-16(27-28)6-12(2)25-17(15)26-18(29)14-3-4-14/h5-7,9,14H,3-4,8,10H2,1-2H3,(H,25,26,29).
What are the key properties of N-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide?
N-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide has a molecular weight of 419.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 90119234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).