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

C12H14BrN5O — CID 58043785

IUPAC5-bromo-1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one
SMILESCn1cc(Br)cc(Nc2cc3n(n2)CCNC3)c1=O
InChIInChI=1S/C12H14BrN5O/c1-17-7-8(13)4-10(12(17)19)15-11-5-9-6-14-2-3-18(9)16-11/h4-5,7,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyQOUXBOVRJMECBY-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.19
Rot. Bonds2

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

5-bromo-1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one (PubChem CID 58043785) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one
PubChem CID58043785
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name5-bromo-1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one
SMILESCn1cc(Br)cc(Nc2cc3n(n2)CCNC3)c1=O
InChIInChI=1S/C12H14BrN5O/c1-17-7-8(13)4-10(12(17)19)15-11-5-9-6-14-2-3-18(9)16-11/h4-5,7,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyQOUXBOVRJMECBY-UHFFFAOYSA-N
XLogP1.19
TPSA63.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one?
The IUPAC name of 5-bromo-1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one (CID 58043785) is 5-bromo-1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one is Cn1cc(Br)cc(Nc2cc3n(n2)CCNC3)c1=O.
What is the InChIKey of 5-bromo-1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one?
The InChIKey is QOUXBOVRJMECBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c1-17-7-8(13)4-10(12(17)19)15-11-5-9-6-14-2-3-18(9)16-11/h4-5,7,14H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 5-bromo-1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one?
5-bromo-1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one has a molecular weight of 324.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2-one is sourced from PubChem (CID 58043785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).