4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

C25H22F3N7O2 — CID 171823262

IUPAC4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCn1ncc2c(N)nc3ccc(C(=O)N(Cc4ccc(C(F)(F)F)cn4)N4C(=O)[C@H]5CC[C@@H]4C5)cc3c21
InChIInChI=1S/C25H22F3N7O2/c1-33-21-18-9-14(3-7-20(18)32-22(29)19(21)11-31-33)23(36)34(35-17-6-2-13(8-17)24(35)37)12-16-5-4-15(10-30-16)25(26,27)28/h3-5,7,9-11,13,17H,2,6,8,12H2,1H3,(H2,29,32)/t13-,17+/m0/s1
InChIKeyYWKQZWUGWJXGKO-SUMWQHHRSA-N
MW509.49 g/mol
LogP3.69
Rot. Bonds4

About 4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 171823262) has the molecular formula C25H22F3N7O2 and a molecular weight of 509.49 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID171823262
Molecular FormulaC25H22F3N7O2
Molecular Weight509.49 g/mol
Exact Mass509.18
IUPAC Name4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCn1ncc2c(N)nc3ccc(C(=O)N(Cc4ccc(C(F)(F)F)cn4)N4C(=O)[C@H]5CC[C@@H]4C5)cc3c21
InChIInChI=1S/C25H22F3N7O2/c1-33-21-18-9-14(3-7-20(18)32-22(29)19(21)11-31-33)23(36)34(35-17-6-2-13(8-17)24(35)37)12-16-5-4-15(10-30-16)25(26,27)28/h3-5,7,9-11,13,17H,2,6,8,12H2,1H3,(H2,29,32)/t13-,17+/m0/s1
InChIKeyYWKQZWUGWJXGKO-SUMWQHHRSA-N
XLogP3.69
TPSA110.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 171823262) is 4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is Cn1ncc2c(N)nc3ccc(C(=O)N(Cc4ccc(C(F)(F)F)cn4)N4C(=O)[C@H]5CC[C@@H]4C5)cc3c21.
What is the InChIKey of 4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is YWKQZWUGWJXGKO-SUMWQHHRSA-N. The full InChI is InChI=1S/C25H22F3N7O2/c1-33-21-18-9-14(3-7-20(18)32-22(29)19(21)11-31-33)23(36)34(35-17-6-2-13(8-17)24(35)37)12-16-5-4-15(10-30-16)25(26,27)28/h3-5,7,9-11,13,17H,2,6,8,12H2,1H3,(H2,29,32)/t13-,17+/m0/s1.
What are the key properties of 4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 509.49 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[(1R,4S)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 171823262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).