4-amino-7-chloro-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

C23H20ClF3N8O2 — CID 171823677

IUPAC4-amino-7-chloro-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCN1CCN(N(Cc2ccc(C(F)(F)F)cn2)C(=O)c2cc3c(cc2Cl)nc(N)c2cnn(C)c23)C1=O
InChIInChI=1S/C23H20ClF3N8O2/c1-32-5-6-34(22(32)37)35(11-13-4-3-12(9-29-13)23(25,26)27)21(36)14-7-15-18(8-17(14)24)31-20(28)16-10-30-33(2)19(15)16/h3-4,7-10H,5-6,11H2,1-2H3,(H2,28,31)
InChIKeyNIOANRIVEHJLHA-UHFFFAOYSA-N
MW532.91 g/mol
LogP3.70
Rot. Bonds4

About 4-amino-7-chloro-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-7-chloro-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 171823677) has the molecular formula C23H20ClF3N8O2 and a molecular weight of 532.91 g/mol. Its IUPAC name is 4-amino-7-chloro-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-7-chloro-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID171823677
Molecular FormulaC23H20ClF3N8O2
Molecular Weight532.91 g/mol
Exact Mass532.13
IUPAC Name4-amino-7-chloro-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCN1CCN(N(Cc2ccc(C(F)(F)F)cn2)C(=O)c2cc3c(cc2Cl)nc(N)c2cnn(C)c23)C1=O
InChIInChI=1S/C23H20ClF3N8O2/c1-32-5-6-34(22(32)37)35(11-13-4-3-12(9-29-13)23(25,26)27)21(36)14-7-15-18(8-17(14)24)31-20(28)16-10-30-33(2)19(15)16/h3-4,7-10H,5-6,11H2,1-2H3,(H2,28,31)
InChIKeyNIOANRIVEHJLHA-UHFFFAOYSA-N
XLogP3.70
TPSA113.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.91
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-chloro-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-7-chloro-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 171823677) is 4-amino-7-chloro-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-7-chloro-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-7-chloro-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is CN1CCN(N(Cc2ccc(C(F)(F)F)cn2)C(=O)c2cc3c(cc2Cl)nc(N)c2cnn(C)c23)C1=O.
What is the InChIKey of 4-amino-7-chloro-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is NIOANRIVEHJLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N8O2/c1-32-5-6-34(22(32)37)35(11-13-4-3-12(9-29-13)23(25,26)27)21(36)14-7-15-18(8-17(14)24)31-20(28)16-10-30-33(2)19(15)16/h3-4,7-10H,5-6,11H2,1-2H3,(H2,28,31).
What are the key properties of 4-amino-7-chloro-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-7-chloro-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 532.91 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-chloro-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 171823677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).