4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

C23H23F3N6O — CID 163383591

IUPAC4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCc1nn(C)c2c1c(N)nc1ccc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C(C)C)cc12
InChIInChI=1S/C23H23F3N6O/c1-12(2)32(11-16-7-6-15(10-28-16)23(24,25)26)22(33)14-5-8-18-17(9-14)20-19(21(27)29-18)13(3)30-31(20)4/h5-10,12H,11H2,1-4H3,(H2,27,29)
InChIKeyVXTYEWCXVQPCSX-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.48
Rot. Bonds4

About 4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 163383591) has the molecular formula C23H23F3N6O and a molecular weight of 456.47 g/mol. Its IUPAC name is 4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID163383591
Molecular FormulaC23H23F3N6O
Molecular Weight456.47 g/mol
Exact Mass456.19
IUPAC Name4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCc1nn(C)c2c1c(N)nc1ccc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C(C)C)cc12
InChIInChI=1S/C23H23F3N6O/c1-12(2)32(11-16-7-6-15(10-28-16)23(24,25)26)22(33)14-5-8-18-17(9-14)20-19(21(27)29-18)13(3)30-31(20)4/h5-10,12H,11H2,1-4H3,(H2,27,29)
InChIKeyVXTYEWCXVQPCSX-UHFFFAOYSA-N
XLogP4.48
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 163383591) is 4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is Cc1nn(C)c2c1c(N)nc1ccc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C(C)C)cc12.
What is the InChIKey of 4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is VXTYEWCXVQPCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O/c1-12(2)32(11-16-7-6-15(10-28-16)23(24,25)26)22(33)14-5-8-18-17(9-14)20-19(21(27)29-18)13(3)30-31(20)4/h5-10,12H,11H2,1-4H3,(H2,27,29).
What are the key properties of 4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 163383591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).