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

C22H18F3N5O2 — CID 175597943

IUPAC3,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide
SMILESCc1nc2ccccc2c2c1c(C)nn2C(=O)N[C@@H]1COCc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C22H18F3N5O2/c1-11-19-12(2)29-30(20(19)14-5-3-4-6-15(14)26-11)21(31)28-17-10-32-9-16-13(17)7-8-18(27-16)22(23,24)25/h3-8,17H,9-10H2,1-2H3,(H,28,31)/t17-/m1/s1
InChIKeyWHHIBCILNOMIKC-QGZVFWFLSA-N
MW441.41 g/mol
LogP4.44
Rot. Bonds1

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

3,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide (PubChem CID 175597943) has the molecular formula C22H18F3N5O2 and a molecular weight of 441.41 g/mol. Its IUPAC name is 3,4-dimethyl-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-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide
PubChem CID175597943
Molecular FormulaC22H18F3N5O2
Molecular Weight441.41 g/mol
Exact Mass441.14
IUPAC Name3,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide
SMILESCc1nc2ccccc2c2c1c(C)nn2C(=O)N[C@@H]1COCc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C22H18F3N5O2/c1-11-19-12(2)29-30(20(19)14-5-3-4-6-15(14)26-11)21(31)28-17-10-32-9-16-13(17)7-8-18(27-16)22(23,24)25/h3-8,17H,9-10H2,1-2H3,(H,28,31)/t17-/m1/s1
InChIKeyWHHIBCILNOMIKC-QGZVFWFLSA-N
XLogP4.44
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-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-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide (CID 175597943) is 3,4-dimethyl-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-dimethyl-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-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide is Cc1nc2ccccc2c2c1c(C)nn2C(=O)N[C@@H]1COCc2nc(C(F)(F)F)ccc21.
What is the InChIKey of 3,4-dimethyl-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 WHHIBCILNOMIKC-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H18F3N5O2/c1-11-19-12(2)29-30(20(19)14-5-3-4-6-15(14)26-11)21(31)28-17-10-32-9-16-13(17)7-8-18(27-16)22(23,24)25/h3-8,17H,9-10H2,1-2H3,(H,28,31)/t17-/m1/s1.
What are the key properties of 3,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-1-carboxamide?
3,4-dimethyl-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 441.41 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-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 175597943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).