2-amino-N-[(7S)-7-methyl-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-4-carboxamide;sulfane

C19H20N6O2S — CID 158698603

IUPAC2-amino-N-[(7S)-7-methyl-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-4-carboxamide;sulfane
SMILESC[C@H]1CN(c2ccccc2)C(=O)c2c(NC(=O)c3ccnc(N)c3)cnn21.S
InChIInChI=1S/C19H18N6O2.H2S/c1-12-11-24(14-5-3-2-4-6-14)19(27)17-15(10-22-25(12)17)23-18(26)13-7-8-21-16(20)9-13;/h2-10,12H,11H2,1H3,(H2,20,21)(H,23,26);1H2/t12-;/m0./s1
InChIKeyIHGFFJVYTKFOBQ-YDALLXLXSA-N
MW396.48 g/mol
LogP2.45
Rot. Bonds3

About 2-amino-N-[(7S)-7-methyl-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-4-carboxamide;sulfane

2-amino-N-[(7S)-7-methyl-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-4-carboxamide;sulfane (PubChem CID 158698603) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-amino-N-[(7S)-7-methyl-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-4-carboxamide;sulfane.

Molecular Properties

Compound Name2-amino-N-[(7S)-7-methyl-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-4-carboxamide;sulfane
PubChem CID158698603
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name2-amino-N-[(7S)-7-methyl-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-4-carboxamide;sulfane
SMILESC[C@H]1CN(c2ccccc2)C(=O)c2c(NC(=O)c3ccnc(N)c3)cnn21.S
InChIInChI=1S/C19H18N6O2.H2S/c1-12-11-24(14-5-3-2-4-6-14)19(27)17-15(10-22-25(12)17)23-18(26)13-7-8-21-16(20)9-13;/h2-10,12H,11H2,1H3,(H2,20,21)(H,23,26);1H2/t12-;/m0./s1
InChIKeyIHGFFJVYTKFOBQ-YDALLXLXSA-N
XLogP2.45
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693863
(7S)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694231
N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
CID 118693814
N-[7-methyl-4-oxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
CID 145008412
4-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693704
N-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide
CID 118693922
6-methoxy-N-[7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
CID 145008379
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
2-(methylamino)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
CID 118693774
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
ethane;7-methyl-N-(2-methylpyridine-4-carbonyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 145008175
N-[(7S)-5-[3-fluoro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide
CID 118693752

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(7S)-7-methyl-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-4-carboxamide;sulfane?
The IUPAC name of 2-amino-N-[(7S)-7-methyl-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-4-carboxamide;sulfane (CID 158698603) is 2-amino-N-[(7S)-7-methyl-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-4-carboxamide;sulfane.
What is the SMILES notation for 2-amino-N-[(7S)-7-methyl-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-4-carboxamide;sulfane?
The canonical SMILES for 2-amino-N-[(7S)-7-methyl-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-4-carboxamide;sulfane is C[C@H]1CN(c2ccccc2)C(=O)c2c(NC(=O)c3ccnc(N)c3)cnn21.S.
What is the InChIKey of 2-amino-N-[(7S)-7-methyl-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-4-carboxamide;sulfane?
The InChIKey is IHGFFJVYTKFOBQ-YDALLXLXSA-N. The full InChI is InChI=1S/C19H18N6O2.H2S/c1-12-11-24(14-5-3-2-4-6-14)19(27)17-15(10-22-25(12)17)23-18(26)13-7-8-21-16(20)9-13;/h2-10,12H,11H2,1H3,(H2,20,21)(H,23,26);1H2/t12-;/m0./s1.
What are the key properties of 2-amino-N-[(7S)-7-methyl-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-4-carboxamide;sulfane?
2-amino-N-[(7S)-7-methyl-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-4-carboxamide;sulfane has a molecular weight of 396.48 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(7S)-7-methyl-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-4-carboxamide;sulfane is sourced from PubChem (CID 158698603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).