N-(1-methylpyrazol-3-yl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-amine

C19H18F3N7O — CID 74539687

IUPACN-(1-methylpyrazol-3-yl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1cc(Cn2cc3c(Nc4ccn(C)n4)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C19H18F3N7O/c1-12-7-13(8-24-18(12)30-11-19(20,21)22)9-29-10-14-15(26-29)3-5-23-17(14)25-16-4-6-28(2)27-16/h3-8,10H,9,11H2,1-2H3,(H,23,25,27)
InChIKeyJODOXRAOGLHXLU-UHFFFAOYSA-N
MW417.40 g/mol
LogP3.60
Rot. Bonds6

About N-(1-methylpyrazol-3-yl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-amine

N-(1-methylpyrazol-3-yl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 74539687) has the molecular formula C19H18F3N7O and a molecular weight of 417.40 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
PubChem CID74539687
Molecular FormulaC19H18F3N7O
Molecular Weight417.40 g/mol
Exact Mass417.15
IUPAC NameN-(1-methylpyrazol-3-yl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1cc(Cn2cc3c(Nc4ccn(C)n4)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C19H18F3N7O/c1-12-7-13(8-24-18(12)30-11-19(20,21)22)9-29-10-14-15(26-29)3-5-23-17(14)25-16-4-6-28(2)27-16/h3-8,10H,9,11H2,1-2H3,(H,23,25,27)
InChIKeyJODOXRAOGLHXLU-UHFFFAOYSA-N
XLogP3.60
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-amine (CID 74539687) is N-(1-methylpyrazol-3-yl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-amine is Cc1cc(Cn2cc3c(Nc4ccn(C)n4)nccc3n2)cnc1OCC(F)(F)F.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is JODOXRAOGLHXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O/c1-12-7-13(8-24-18(12)30-11-19(20,21)22)9-29-10-14-15(26-29)3-5-23-17(14)25-16-4-6-28(2)27-16/h3-8,10H,9,11H2,1-2H3,(H,23,25,27).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-amine?
N-(1-methylpyrazol-3-yl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 417.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 74539687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).