2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine

C19H16F3N5O — CID 60503130

IUPAC2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(NCc3ccc(OCC(F)(F)F)nc3)c3ccccc3n2n1
InChIInChI=1S/C19H16F3N5O/c1-12-8-16-25-18(14-4-2-3-5-15(14)27(16)26-12)24-10-13-6-7-17(23-9-13)28-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,24,25)
InChIKeyAONSALXSWRNNSG-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.14
Rot. Bonds5

About 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine

2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 60503130) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
PubChem CID60503130
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC Name2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(NCc3ccc(OCC(F)(F)F)nc3)c3ccccc3n2n1
InChIInChI=1S/C19H16F3N5O/c1-12-8-16-25-18(14-4-2-3-5-15(14)27(16)26-12)24-10-13-6-7-17(23-9-13)28-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,24,25)
InChIKeyAONSALXSWRNNSG-UHFFFAOYSA-N
XLogP4.14
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine (CID 60503130) is 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine is Cc1cc2nc(NCc3ccc(OCC(F)(F)F)nc3)c3ccccc3n2n1.
What is the InChIKey of 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is AONSALXSWRNNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c1-12-8-16-25-18(14-4-2-3-5-15(14)27(16)26-12)24-10-13-6-7-17(23-9-13)28-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,24,25).
What are the key properties of 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine?
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 387.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 60503130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).