(4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

C15H19ClN6O — CID 136589090

IUPAC(4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1[C@@H]1[C@@H](Nc2cncc(Cl)n2)CC(=O)N1C
InChIInChI=1S/C15H19ClN6O/c1-8-14(9(2)22(4)20-8)15-10(5-13(23)21(15)3)18-12-7-17-6-11(16)19-12/h6-7,10,15H,5H2,1-4H3,(H,18,19)/t10-,15-/m0/s1
InChIKeyQPKDYZMAHNZNLP-BONVTDFDSA-N
MW334.81 g/mol
LogP1.86
Rot. Bonds3

About (4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

(4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 136589090) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is (4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID136589090
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name(4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1[C@@H]1[C@@H](Nc2cncc(Cl)n2)CC(=O)N1C
InChIInChI=1S/C15H19ClN6O/c1-8-14(9(2)22(4)20-8)15-10(5-13(23)21(15)3)18-12-7-17-6-11(16)19-12/h6-7,10,15H,5H2,1-4H3,(H,18,19)/t10-,15-/m0/s1
InChIKeyQPKDYZMAHNZNLP-BONVTDFDSA-N
XLogP1.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (CID 136589090) is (4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is Cc1nn(C)c(C)c1[C@@H]1[C@@H](Nc2cncc(Cl)n2)CC(=O)N1C.
What is the InChIKey of (4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is QPKDYZMAHNZNLP-BONVTDFDSA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-8-14(9(2)22(4)20-8)15-10(5-13(23)21(15)3)18-12-7-17-6-11(16)19-12/h6-7,10,15H,5H2,1-4H3,(H,18,19)/t10-,15-/m0/s1.
What are the key properties of (4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
(4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 334.81 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 136589090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).