4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

C23H18F4N8O — CID 163383378

IUPAC4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCn1cc(N(Cc2ccc(C(F)(F)F)cn2)C(=O)c2cc3c(cc2F)nc(N)c2cnn(C)c23)cn1
InChIInChI=1S/C23H18F4N8O/c1-33-11-14(8-30-33)35(10-13-4-3-12(7-29-13)23(25,26)27)22(36)15-5-16-19(6-18(15)24)32-21(28)17-9-31-34(2)20(16)17/h3-9,11H,10H2,1-2H3,(H2,28,32)
InChIKeyJZQBATBURLDDEO-UHFFFAOYSA-N
MW498.44 g/mol
LogP3.84
Rot. Bonds4

About 4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 163383378) has the molecular formula C23H18F4N8O and a molecular weight of 498.44 g/mol. Its IUPAC name is 4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID163383378
Molecular FormulaC23H18F4N8O
Molecular Weight498.44 g/mol
Exact Mass498.15
IUPAC Name4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCn1cc(N(Cc2ccc(C(F)(F)F)cn2)C(=O)c2cc3c(cc2F)nc(N)c2cnn(C)c23)cn1
InChIInChI=1S/C23H18F4N8O/c1-33-11-14(8-30-33)35(10-13-4-3-12(7-29-13)23(25,26)27)22(36)15-5-16-19(6-18(15)24)32-21(28)17-9-31-34(2)20(16)17/h3-9,11H,10H2,1-2H3,(H2,28,32)
InChIKeyJZQBATBURLDDEO-UHFFFAOYSA-N
XLogP3.84
TPSA107.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 163383378) is 4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is Cn1cc(N(Cc2ccc(C(F)(F)F)cn2)C(=O)c2cc3c(cc2F)nc(N)c2cnn(C)c23)cn1.
What is the InChIKey of 4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is JZQBATBURLDDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N8O/c1-33-11-14(8-30-33)35(10-13-4-3-12(7-29-13)23(25,26)27)22(36)15-5-16-19(6-18(15)24)32-21(28)17-9-31-34(2)20(16)17/h3-9,11H,10H2,1-2H3,(H2,28,32).
What are the key properties of 4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 498.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 163383378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).