N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide

C21H16F3N7O2 — CID 134450279

IUPACN-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cncc(OCC(F)(F)F)c3)n2)c(-c2cnccn2)n1
InChIInChI=1S/C21H16F3N7O2/c1-31-11-18(19(30-31)17-10-25-5-6-27-17)29-20(32)16-4-2-3-15(28-16)13-7-14(9-26-8-13)33-12-21(22,23)24/h2-11H,12H2,1H3,(H,29,32)
InChIKeyOECLKIBSCKPXER-UHFFFAOYSA-N
MW455.40 g/mol
LogP3.53
Rot. Bonds6

About N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide

N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 134450279) has the molecular formula C21H16F3N7O2 and a molecular weight of 455.40 g/mol. Its IUPAC name is N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID134450279
Molecular FormulaC21H16F3N7O2
Molecular Weight455.40 g/mol
Exact Mass455.13
IUPAC NameN-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cncc(OCC(F)(F)F)c3)n2)c(-c2cnccn2)n1
InChIInChI=1S/C21H16F3N7O2/c1-31-11-18(19(30-31)17-10-25-5-6-27-17)29-20(32)16-4-2-3-15(28-16)13-7-14(9-26-8-13)33-12-21(22,23)24/h2-11H,12H2,1H3,(H,29,32)
InChIKeyOECLKIBSCKPXER-UHFFFAOYSA-N
XLogP3.53
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide (CID 134450279) is N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide is Cn1cc(NC(=O)c2cccc(-c3cncc(OCC(F)(F)F)c3)n2)c(-c2cnccn2)n1.
What is the InChIKey of N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is OECLKIBSCKPXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N7O2/c1-31-11-18(19(30-31)17-10-25-5-6-27-17)29-20(32)16-4-2-3-15(28-16)13-7-14(9-26-8-13)33-12-21(22,23)24/h2-11H,12H2,1H3,(H,29,32).
What are the key properties of N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide?
N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 455.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 134450279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).