4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide

C24H23F3N6O3 — CID 176898486

IUPAC4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCOCc1cc2nc(N)c3cnn(C)c3c2cc1C(=O)N(C)C1COCc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C24H23F3N6O3/c1-32(19-11-36-10-18-13(19)4-5-20(30-18)24(25,26)27)23(34)14-7-15-17(6-12(14)9-35-3)31-22(28)16-8-29-33(2)21(15)16/h4-8,19H,9-11H2,1-3H3,(H2,28,31)
InChIKeyVCGFXCBJZIJGNL-UHFFFAOYSA-N
MW500.48 g/mol
LogP3.61
Rot. Bonds4

About 4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 176898486) has the molecular formula C24H23F3N6O3 and a molecular weight of 500.48 g/mol. Its IUPAC name is 4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID176898486
Molecular FormulaC24H23F3N6O3
Molecular Weight500.48 g/mol
Exact Mass500.18
IUPAC Name4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCOCc1cc2nc(N)c3cnn(C)c3c2cc1C(=O)N(C)C1COCc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C24H23F3N6O3/c1-32(19-11-36-10-18-13(19)4-5-20(30-18)24(25,26)27)23(34)14-7-15-17(6-12(14)9-35-3)31-22(28)16-8-29-33(2)21(15)16/h4-8,19H,9-11H2,1-3H3,(H2,28,31)
InChIKeyVCGFXCBJZIJGNL-UHFFFAOYSA-N
XLogP3.61
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 176898486) is 4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is COCc1cc2nc(N)c3cnn(C)c3c2cc1C(=O)N(C)C1COCc2nc(C(F)(F)F)ccc21.
What is the InChIKey of 4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is VCGFXCBJZIJGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O3/c1-32(19-11-36-10-18-13(19)4-5-20(30-18)24(25,26)27)23(34)14-7-15-17(6-12(14)9-35-3)31-22(28)16-8-29-33(2)21(15)16/h4-8,19H,9-11H2,1-3H3,(H2,28,31).
What are the key properties of 4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 500.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 176898486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).