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

C18H15ClN6O2 — CID 118694316

IUPAC(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-N-pyrazin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESC[C@H]1CN(c2ccc(Cl)cc2)C(=O)c2c(C(=O)Nc3cnccn3)cnn21
InChIInChI=1S/C18H15ClN6O2/c1-11-10-24(13-4-2-12(19)3-5-13)18(27)16-14(8-22-25(11)16)17(26)23-15-9-20-6-7-21-15/h2-9,11H,10H2,1H3,(H,21,23,26)/t11-/m0/s1
InChIKeyVXNCAPNFOXLTJP-NSHDSACASA-N
MW382.81 g/mol
LogP2.80
Rot. Bonds3

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

(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-N-pyrazin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 118694316) has the molecular formula C18H15ClN6O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is (7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-N-pyrazin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-N-pyrazin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID118694316
Molecular FormulaC18H15ClN6O2
Molecular Weight382.81 g/mol
Exact Mass382.09
IUPAC Name(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-N-pyrazin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESC[C@H]1CN(c2ccc(Cl)cc2)C(=O)c2c(C(=O)Nc3cnccn3)cnn21
InChIInChI=1S/C18H15ClN6O2/c1-11-10-24(13-4-2-12(19)3-5-13)18(27)16-14(8-22-25(11)16)17(26)23-15-9-20-6-7-21-15/h2-9,11H,10H2,1H3,(H,21,23,26)/t11-/m0/s1
InChIKeyVXNCAPNFOXLTJP-NSHDSACASA-N
XLogP2.80
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-N-pyrazin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of (7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-N-pyrazin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 118694316) is (7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-N-pyrazin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for (7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-N-pyrazin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for (7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-N-pyrazin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is C[C@H]1CN(c2ccc(Cl)cc2)C(=O)c2c(C(=O)Nc3cnccn3)cnn21.
What is the InChIKey of (7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-N-pyrazin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is VXNCAPNFOXLTJP-NSHDSACASA-N. The full InChI is InChI=1S/C18H15ClN6O2/c1-11-10-24(13-4-2-12(19)3-5-13)18(27)16-14(8-22-25(11)16)17(26)23-15-9-20-6-7-21-15/h2-9,11H,10H2,1H3,(H,21,23,26)/t11-/m0/s1.
What are the key properties of (7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-N-pyrazin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-N-pyrazin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-N-pyrazin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 118694316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).