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

C21H17F3N6O2 — CID 74539620

IUPACN-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide
SMILESCc1cc(Cn2cc3c(NC(=O)c4cccnc4)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C21H17F3N6O2/c1-13-7-14(8-27-20(13)32-12-21(22,23)24)10-30-11-16-17(29-30)4-6-26-18(16)28-19(31)15-3-2-5-25-9-15/h2-9,11H,10,12H2,1H3,(H,26,28,31)
InChIKeyVZSUTHKZXFWQSU-UHFFFAOYSA-N
MW442.40 g/mol
LogP3.77
Rot. Bonds6

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

N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide (PubChem CID 74539620) has the molecular formula C21H17F3N6O2 and a molecular weight of 442.40 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]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide
PubChem CID74539620
Molecular FormulaC21H17F3N6O2
Molecular Weight442.40 g/mol
Exact Mass442.14
IUPAC NameN-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide
SMILESCc1cc(Cn2cc3c(NC(=O)c4cccnc4)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C21H17F3N6O2/c1-13-7-14(8-27-20(13)32-12-21(22,23)24)10-30-11-16-17(29-30)4-6-26-18(16)28-19(31)15-3-2-5-25-9-15/h2-9,11H,10,12H2,1H3,(H,26,28,31)
InChIKeyVZSUTHKZXFWQSU-UHFFFAOYSA-N
XLogP3.77
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 89487474
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CID 122442698
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CID 135120939
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CID 135120941

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]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide (CID 74539620) is N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide.
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]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide is Cc1cc(Cn2cc3c(NC(=O)c4cccnc4)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]pyridine-3-carboxamide?
The InChIKey is VZSUTHKZXFWQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O2/c1-13-7-14(8-27-20(13)32-12-21(22,23)24)10-30-11-16-17(29-30)4-6-26-18(16)28-19(31)15-3-2-5-25-9-15/h2-9,11H,10,12H2,1H3,(H,26,28,31).
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]pyridine-3-carboxamide?
N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide has a molecular weight of 442.40 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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]pyridine-3-carboxamide is sourced from PubChem (CID 74539620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).