2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide

C16H24N6O — CID 110244009

IUPAC2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCn1nc(C2CCN(C)C2)c2nccnc21
InChIInChI=1S/C16H24N6O/c1-11(2)16(23)19-7-9-22-15-14(17-5-6-18-15)13(20-22)12-4-8-21(3)10-12/h5-6,11-12H,4,7-10H2,1-3H3,(H,19,23)
InChIKeyKYFIAIVIJFPVBG-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.02
Rot. Bonds5

About 2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide

2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide (PubChem CID 110244009) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide
PubChem CID110244009
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCn1nc(C2CCN(C)C2)c2nccnc21
InChIInChI=1S/C16H24N6O/c1-11(2)16(23)19-7-9-22-15-14(17-5-6-18-15)13(20-22)12-4-8-21(3)10-12/h5-6,11-12H,4,7-10H2,1-3H3,(H,19,23)
InChIKeyKYFIAIVIJFPVBG-UHFFFAOYSA-N
XLogP1.02
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide 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 2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide (CID 110244009) is 2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide is CC(C)C(=O)NCCn1nc(C2CCN(C)C2)c2nccnc21.
What is the InChIKey of 2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide?
The InChIKey is KYFIAIVIJFPVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11(2)16(23)19-7-9-22-15-14(17-5-6-18-15)13(20-22)12-4-8-21(3)10-12/h5-6,11-12H,4,7-10H2,1-3H3,(H,19,23).
What are the key properties of 2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide?
2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide has a molecular weight of 316.41 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 110244009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).