4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide

C22H19F4N7O — CID 163383319

IUPAC4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESC[C@@H](c1ccc(C(F)(F)F)nn1)N(C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12)C1CC1
InChIInChI=1S/C22H19F4N7O/c1-10(16-5-6-18(31-30-16)22(24,25)26)33(11-3-4-11)21(34)12-7-13-17(8-15(12)23)29-20(27)14-9-28-32(2)19(13)14/h5-11H,3-4H2,1-2H3,(H2,27,29)/t10-/m0/s1
InChIKeyYISNVRSFECIDQC-JTQLQIEISA-N
MW473.43 g/mol
LogP4.02
Rot. Bonds4

About 4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 163383319) has the molecular formula C22H19F4N7O and a molecular weight of 473.43 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID163383319
Molecular FormulaC22H19F4N7O
Molecular Weight473.43 g/mol
Exact Mass473.16
IUPAC Name4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESC[C@@H](c1ccc(C(F)(F)F)nn1)N(C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12)C1CC1
InChIInChI=1S/C22H19F4N7O/c1-10(16-5-6-18(31-30-16)22(24,25)26)33(11-3-4-11)21(34)12-7-13-17(8-15(12)23)29-20(27)14-9-28-32(2)19(13)14/h5-11H,3-4H2,1-2H3,(H2,27,29)/t10-/m0/s1
InChIKeyYISNVRSFECIDQC-JTQLQIEISA-N
XLogP4.02
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 163383319) is 4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide is C[C@@H](c1ccc(C(F)(F)F)nn1)N(C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is YISNVRSFECIDQC-JTQLQIEISA-N. The full InChI is InChI=1S/C22H19F4N7O/c1-10(16-5-6-18(31-30-16)22(24,25)26)33(11-3-4-11)21(34)12-7-13-17(8-15(12)23)29-20(27)14-9-28-32(2)19(13)14/h5-11H,3-4H2,1-2H3,(H2,27,29)/t10-/m0/s1.
What are the key properties of 4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 473.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 163383319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).