(7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C13H14ClN5O2 — CID 118861608

IUPAC(7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1nc(N2C[C@H](C)n3ncc(N)c3C2=O)ccc1Cl
InChIInChI=1S/C13H14ClN5O2/c1-7-6-18(10-4-3-8(14)12(17-10)21-2)13(20)11-9(15)5-16-19(7)11/h3-5,7H,6,15H2,1-2H3/t7-/m0/s1
InChIKeyJPHPSRCKKXVBLJ-ZETCQYMHSA-N
MW307.74 g/mol
LogP1.74
Rot. Bonds2

About (7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118861608) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is (7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118861608
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Name(7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1nc(N2C[C@H](C)n3ncc(N)c3C2=O)ccc1Cl
InChIInChI=1S/C13H14ClN5O2/c1-7-6-18(10-4-3-8(14)12(17-10)21-2)13(20)11-9(15)5-16-19(7)11/h3-5,7H,6,15H2,1-2H3/t7-/m0/s1
InChIKeyJPHPSRCKKXVBLJ-ZETCQYMHSA-N
XLogP1.74
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118861608) is (7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1nc(N2C[C@H](C)n3ncc(N)c3C2=O)ccc1Cl.
What is the InChIKey of (7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is JPHPSRCKKXVBLJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-7-6-18(10-4-3-8(14)12(17-10)21-2)13(20)11-9(15)5-16-19(7)11/h3-5,7H,6,15H2,1-2H3/t7-/m0/s1.
What are the key properties of (7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 307.74 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118861608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).