1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one

C16H21N5O2 — CID 142720033

IUPAC1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one
SMILESCC(C)C(=O)c1cc(Nc2cc3n(n2)CCNC3)c(=O)n(C)c1
InChIInChI=1S/C16H21N5O2/c1-10(2)15(22)11-6-13(16(23)20(3)9-11)18-14-7-12-8-17-4-5-21(12)19-14/h6-7,9-10,17H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyVDYNHEKGFUUQKP-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.27
Rot. Bonds4

About 1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one

1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one (PubChem CID 142720033) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one
PubChem CID142720033
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one
SMILESCC(C)C(=O)c1cc(Nc2cc3n(n2)CCNC3)c(=O)n(C)c1
InChIInChI=1S/C16H21N5O2/c1-10(2)15(22)11-6-13(16(23)20(3)9-11)18-14-7-12-8-17-4-5-21(12)19-14/h6-7,9-10,17H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyVDYNHEKGFUUQKP-UHFFFAOYSA-N
XLogP1.27
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one?
The IUPAC name of 1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one (CID 142720033) is 1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one is CC(C)C(=O)c1cc(Nc2cc3n(n2)CCNC3)c(=O)n(C)c1.
What is the InChIKey of 1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one?
The InChIKey is VDYNHEKGFUUQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10(2)15(22)11-6-13(16(23)20(3)9-11)18-14-7-12-8-17-4-5-21(12)19-14/h6-7,9-10,17H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one?
1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one has a molecular weight of 315.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylpropanoyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one is sourced from PubChem (CID 142720033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).