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

C21H16F3N5O2 — CID 175597946

IUPAC3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide
SMILESCc1nc2ccccc2c2c1c(C)nn2C(=O)N[C@@H]1COc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C21H16F3N5O2/c1-10-17-11(2)28-29(18(17)12-5-3-4-6-14(12)25-10)20(30)26-15-9-31-19-13(15)7-8-16(27-19)21(22,23)24/h3-8,15H,9H2,1-2H3,(H,26,30)/t15-/m1/s1
InChIKeyFNYIMNPOUVULPG-OAHLLOKOSA-N
MW427.39 g/mol
LogP4.31
Rot. Bonds1

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

3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide (PubChem CID 175597946) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide
PubChem CID175597946
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC Name3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide
SMILESCc1nc2ccccc2c2c1c(C)nn2C(=O)N[C@@H]1COc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C21H16F3N5O2/c1-10-17-11(2)28-29(18(17)12-5-3-4-6-14(12)25-10)20(30)26-15-9-31-19-13(15)7-8-16(27-19)21(22,23)24/h3-8,15H,9H2,1-2H3,(H,26,30)/t15-/m1/s1
InChIKeyFNYIMNPOUVULPG-OAHLLOKOSA-N
XLogP4.31
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide?
The IUPAC name of 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide (CID 175597946) is 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide.
What is the SMILES notation for 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide?
The canonical SMILES for 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide is Cc1nc2ccccc2c2c1c(C)nn2C(=O)N[C@@H]1COc2nc(C(F)(F)F)ccc21.
What is the InChIKey of 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide?
The InChIKey is FNYIMNPOUVULPG-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c1-10-17-11(2)28-29(18(17)12-5-3-4-6-14(12)25-10)20(30)26-15-9-31-19-13(15)7-8-16(27-19)21(22,23)24/h3-8,15H,9H2,1-2H3,(H,26,30)/t15-/m1/s1.
What are the key properties of 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide?
3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide has a molecular weight of 427.39 g/mol, XLogP of 4.31, 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-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide is sourced from PubChem (CID 175597946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).