4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide

C26H21F3N6O2 — CID 177043091

IUPAC4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1)C1COCc2c1ccc1cc(C(F)(F)F)cnc21
InChIInChI=1S/C26H21F3N6O2/c1-34(25(36)14-4-6-20-17(8-14)23-18(24(30)33-20)10-32-35(23)2)21-12-37-11-19-16(21)5-3-13-7-15(26(27,28)29)9-31-22(13)19/h3-10,21H,11-12H2,1-2H3,(H2,30,33)
InChIKeyFMPDTURNLNTMHC-UHFFFAOYSA-N
MW506.49 g/mol
LogP4.61
Rot. Bonds2

About 4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 177043091) has the molecular formula C26H21F3N6O2 and a molecular weight of 506.49 g/mol. Its IUPAC name is 4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID177043091
Molecular FormulaC26H21F3N6O2
Molecular Weight506.49 g/mol
Exact Mass506.17
IUPAC Name4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1)C1COCc2c1ccc1cc(C(F)(F)F)cnc21
InChIInChI=1S/C26H21F3N6O2/c1-34(25(36)14-4-6-20-17(8-14)23-18(24(30)33-20)10-32-35(23)2)21-12-37-11-19-16(21)5-3-13-7-15(26(27,28)29)9-31-22(13)19/h3-10,21H,11-12H2,1-2H3,(H2,30,33)
InChIKeyFMPDTURNLNTMHC-UHFFFAOYSA-N
XLogP4.61
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-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-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 177043091) is 4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is CN(C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1)C1COCc2c1ccc1cc(C(F)(F)F)cnc21.
What is the InChIKey of 4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is FMPDTURNLNTMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O2/c1-34(25(36)14-4-6-20-17(8-14)23-18(24(30)33-20)10-32-35(23)2)21-12-37-11-19-16(21)5-3-13-7-15(26(27,28)29)9-31-22(13)19/h3-10,21H,11-12H2,1-2H3,(H2,30,33).
What are the key properties of 4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 506.49 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 177043091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).