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

C18H19F3N6O2 — CID 90118874

IUPAC2-methyl-N-[2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
SMILESCc1nc(Cn2cc3c(NC(=O)C(C)C)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C18H19F3N6O2/c1-10(2)16(28)25-15-13-8-27(26-14(13)4-5-22-15)7-12-6-23-17(11(3)24-12)29-9-18(19,20)21/h4-6,8,10H,7,9H2,1-3H3,(H,22,25,28)
InChIKeyXRGULIMJZNTSLI-UHFFFAOYSA-N
MW408.38 g/mol
LogP3.11
Rot. Bonds6

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

2-methyl-N-[2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide (PubChem CID 90118874) has the molecular formula C18H19F3N6O2 and a molecular weight of 408.38 g/mol. Its IUPAC name is 2-methyl-N-[2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
PubChem CID90118874
Molecular FormulaC18H19F3N6O2
Molecular Weight408.38 g/mol
Exact Mass408.15
IUPAC Name2-methyl-N-[2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
SMILESCc1nc(Cn2cc3c(NC(=O)C(C)C)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C18H19F3N6O2/c1-10(2)16(28)25-15-13-8-27(26-14(13)4-5-22-15)7-12-6-23-17(11(3)24-12)29-9-18(19,20)21/h4-6,8,10H,7,9H2,1-3H3,(H,22,25,28)
InChIKeyXRGULIMJZNTSLI-UHFFFAOYSA-N
XLogP3.11
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide (CID 90118874) is 2-methyl-N-[2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide is Cc1nc(Cn2cc3c(NC(=O)C(C)C)nccc3n2)cnc1OCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide?
The InChIKey is XRGULIMJZNTSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O2/c1-10(2)16(28)25-15-13-8-27(26-14(13)4-5-22-15)7-12-6-23-17(11(3)24-12)29-9-18(19,20)21/h4-6,8,10H,7,9H2,1-3H3,(H,22,25,28).
What are the key properties of 2-methyl-N-[2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide?
2-methyl-N-[2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide has a molecular weight of 408.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide is sourced from PubChem (CID 90118874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).