(7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C13H15N5O — CID 141420839

IUPAC(7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCNc1cc(-c2cnn3c2C(=O)NC[C@@H]3C)ccn1
InChIInChI=1S/C13H15N5O/c1-8-6-16-13(19)12-10(7-17-18(8)12)9-3-4-15-11(5-9)14-2/h3-5,7-8H,6H2,1-2H3,(H,14,15)(H,16,19)/t8-/m0/s1
InChIKeyPTYAWHXNDXCNTG-QMMMGPOBSA-N
MW257.30 g/mol
LogP1.29
Rot. Bonds2

About (7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 141420839) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is (7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID141420839
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name(7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCNc1cc(-c2cnn3c2C(=O)NC[C@@H]3C)ccn1
InChIInChI=1S/C13H15N5O/c1-8-6-16-13(19)12-10(7-17-18(8)12)9-3-4-15-11(5-9)14-2/h3-5,7-8H,6H2,1-2H3,(H,14,15)(H,16,19)/t8-/m0/s1
InChIKeyPTYAWHXNDXCNTG-QMMMGPOBSA-N
XLogP1.29
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 141420839) is (7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is CNc1cc(-c2cnn3c2C(=O)NC[C@@H]3C)ccn1.
What is the InChIKey of (7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PTYAWHXNDXCNTG-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8-6-16-13(19)12-10(7-17-18(8)12)9-3-4-15-11(5-9)14-2/h3-5,7-8H,6H2,1-2H3,(H,14,15)(H,16,19)/t8-/m0/s1.
What are the key properties of (7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 257.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 141420839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).