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

C23H20F3N5O2 — CID 170430136

IUPAC3,4,6-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide
SMILESCc1cccc2c1nc(C)c1c(C)nn(C(=O)N[C@@H]3COCc4nc(C(F)(F)F)ccc43)c12
InChIInChI=1S/C23H20F3N5O2/c1-11-5-4-6-15-20(11)27-12(2)19-13(3)30-31(21(15)19)22(32)29-17-10-33-9-16-14(17)7-8-18(28-16)23(24,25)26/h4-8,17H,9-10H2,1-3H3,(H,29,32)/t17-/m1/s1
InChIKeySVJUYKGGCKANPD-QGZVFWFLSA-N
MW455.44 g/mol
LogP4.75
Rot. Bonds1

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

3,4,6-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide (PubChem CID 170430136) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 3,4,6-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide.

Molecular Properties

Compound Name3,4,6-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide
PubChem CID170430136
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name3,4,6-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide
SMILESCc1cccc2c1nc(C)c1c(C)nn(C(=O)N[C@@H]3COCc4nc(C(F)(F)F)ccc43)c12
InChIInChI=1S/C23H20F3N5O2/c1-11-5-4-6-15-20(11)27-12(2)19-13(3)30-31(21(15)19)22(32)29-17-10-33-9-16-14(17)7-8-18(28-16)23(24,25)26/h4-8,17H,9-10H2,1-3H3,(H,29,32)/t17-/m1/s1
InChIKeySVJUYKGGCKANPD-QGZVFWFLSA-N
XLogP4.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide?
The IUPAC name of 3,4,6-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide (CID 170430136) is 3,4,6-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide.
What is the SMILES notation for 3,4,6-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide?
The canonical SMILES for 3,4,6-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide is Cc1cccc2c1nc(C)c1c(C)nn(C(=O)N[C@@H]3COCc4nc(C(F)(F)F)ccc43)c12.
What is the InChIKey of 3,4,6-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide?
The InChIKey is SVJUYKGGCKANPD-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-11-5-4-6-15-20(11)27-12(2)19-13(3)30-31(21(15)19)22(32)29-17-10-33-9-16-14(17)7-8-18(28-16)23(24,25)26/h4-8,17H,9-10H2,1-3H3,(H,29,32)/t17-/m1/s1.
What are the key properties of 3,4,6-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide?
3,4,6-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 4.75, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide is sourced from PubChem (CID 170430136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).