6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide

C18H13Cl3N6O2 — CID 118693853

IUPAC6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide
SMILESC[C@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)c2c(NC(=O)c3cncc(Cl)n3)cnn21
InChIInChI=1S/C18H13Cl3N6O2/c1-9-8-26(10-2-3-11(19)12(20)4-10)18(29)16-13(6-23-27(9)16)25-17(28)14-5-22-7-15(21)24-14/h2-7,9H,8H2,1H3,(H,25,28)/t9-/m0/s1
InChIKeyMAUSTLGAJHCVDY-VIFPVBQESA-N
MW451.70 g/mol
LogP4.11
Rot. Bonds3

About 6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide

6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide (PubChem CID 118693853) has the molecular formula C18H13Cl3N6O2 and a molecular weight of 451.70 g/mol. Its IUPAC name is 6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide
PubChem CID118693853
Molecular FormulaC18H13Cl3N6O2
Molecular Weight451.70 g/mol
Exact Mass450.02
IUPAC Name6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide
SMILESC[C@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)c2c(NC(=O)c3cncc(Cl)n3)cnn21
InChIInChI=1S/C18H13Cl3N6O2/c1-9-8-26(10-2-3-11(19)12(20)4-10)18(29)16-13(6-23-27(9)16)25-17(28)14-5-22-7-15(21)24-14/h2-7,9H,8H2,1H3,(H,25,28)/t9-/m0/s1
InChIKeyMAUSTLGAJHCVDY-VIFPVBQESA-N
XLogP4.11
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.70
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide (CID 118693853) is 6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide is C[C@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)c2c(NC(=O)c3cncc(Cl)n3)cnn21.
What is the InChIKey of 6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide?
The InChIKey is MAUSTLGAJHCVDY-VIFPVBQESA-N. The full InChI is InChI=1S/C18H13Cl3N6O2/c1-9-8-26(10-2-3-11(19)12(20)4-10)18(29)16-13(6-23-27(9)16)25-17(28)14-5-22-7-15(21)24-14/h2-7,9H,8H2,1H3,(H,25,28)/t9-/m0/s1.
What are the key properties of 6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide?
6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide has a molecular weight of 451.70 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 118693853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).