4-amino-N,1-dimethyl-N-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide

C21H17F3N6O2 — CID 170429701

IUPAC4-amino-N,1-dimethyl-N-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1)[C@@H]1COc2ncc(C(F)(F)F)cc21
InChIInChI=1S/C21H17F3N6O2/c1-29(16-9-32-19-13(16)6-11(7-26-19)21(22,23)24)20(31)10-3-4-15-12(5-10)17-14(18(25)28-15)8-27-30(17)2/h3-8,16H,9H2,1-2H3,(H2,25,28)/t16-/m1/s1
InChIKeyCAGFMNHVVCSPPQ-MRXNPFEDSA-N
MW442.40 g/mol
LogP3.32
Rot. Bonds2

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

4-amino-N,1-dimethyl-N-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 170429701) has the molecular formula C21H17F3N6O2 and a molecular weight of 442.40 g/mol. Its IUPAC name is 4-amino-N,1-dimethyl-N-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-dimethyl-N-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID170429701
Molecular FormulaC21H17F3N6O2
Molecular Weight442.40 g/mol
Exact Mass442.14
IUPAC Name4-amino-N,1-dimethyl-N-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1)[C@@H]1COc2ncc(C(F)(F)F)cc21
InChIInChI=1S/C21H17F3N6O2/c1-29(16-9-32-19-13(16)6-11(7-26-19)21(22,23)24)20(31)10-3-4-15-12(5-10)17-14(18(25)28-15)8-27-30(17)2/h3-8,16H,9H2,1-2H3,(H2,25,28)/t16-/m1/s1
InChIKeyCAGFMNHVVCSPPQ-MRXNPFEDSA-N
XLogP3.32
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-amino-N,1-dimethyl-N-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-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-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N,1-dimethyl-N-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 170429701) is 4-amino-N,1-dimethyl-N-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N,1-dimethyl-N-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N,1-dimethyl-N-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is CN(C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1)[C@@H]1COc2ncc(C(F)(F)F)cc21.
What is the InChIKey of 4-amino-N,1-dimethyl-N-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is CAGFMNHVVCSPPQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H17F3N6O2/c1-29(16-9-32-19-13(16)6-11(7-26-19)21(22,23)24)20(31)10-3-4-15-12(5-10)17-14(18(25)28-15)8-27-30(17)2/h3-8,16H,9H2,1-2H3,(H2,25,28)/t16-/m1/s1.
What are the key properties of 4-amino-N,1-dimethyl-N-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-N,1-dimethyl-N-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 442.40 g/mol, XLogP of 3.32, 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-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 170429701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).