6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide

C19H16F3N7O2 — CID 118693839

IUPAC6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide
SMILESC[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(NC(=O)c3ccc(N)nn3)cnn21
InChIInChI=1S/C19H16F3N7O2/c1-10-9-28(12-4-2-11(3-5-12)19(20,21)22)18(31)16-14(8-24-29(10)16)25-17(30)13-6-7-15(23)27-26-13/h2-8,10H,9H2,1H3,(H2,23,27)(H,25,30)/t10-/m0/s1
InChIKeyDYQKLUSEQXPWAT-JTQLQIEISA-N
MW431.38 g/mol
LogP2.75
Rot. Bonds3

About 6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide

6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide (PubChem CID 118693839) has the molecular formula C19H16F3N7O2 and a molecular weight of 431.38 g/mol. Its IUPAC name is 6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide
PubChem CID118693839
Molecular FormulaC19H16F3N7O2
Molecular Weight431.38 g/mol
Exact Mass431.13
IUPAC Name6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide
SMILESC[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(NC(=O)c3ccc(N)nn3)cnn21
InChIInChI=1S/C19H16F3N7O2/c1-10-9-28(12-4-2-11(3-5-12)19(20,21)22)18(31)16-14(8-24-29(10)16)25-17(30)13-6-7-15(23)27-26-13/h2-8,10H,9H2,1H3,(H2,23,27)(H,25,30)/t10-/m0/s1
InChIKeyDYQKLUSEQXPWAT-JTQLQIEISA-N
XLogP2.75
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide (CID 118693839) is 6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide is C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(NC(=O)c3ccc(N)nn3)cnn21.
What is the InChIKey of 6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide?
The InChIKey is DYQKLUSEQXPWAT-JTQLQIEISA-N. The full InChI is InChI=1S/C19H16F3N7O2/c1-10-9-28(12-4-2-11(3-5-12)19(20,21)22)18(31)16-14(8-24-29(10)16)25-17(30)13-6-7-15(23)27-26-13/h2-8,10H,9H2,1H3,(H2,23,27)(H,25,30)/t10-/m0/s1.
What are the key properties of 6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide?
6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide has a molecular weight of 431.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 118693839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).