1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one

C22H24N8O2 — CID 168773665

IUPAC1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one
SMILESCOc1nc(NC2CC(C)(N3CCCC3=O)C2)nc2[nH]cc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C22H24N8O2/c1-22(30-6-3-4-16(30)31)8-14(9-22)26-20-27-18-17(19(28-20)32-2)15(11-24-18)13-10-25-21-23-5-7-29(21)12-13/h5,7,10-12,14H,3-4,6,8-9H2,1-2H3,(H2,24,26,27,28)
InChIKeyVSDIQXHIXGJOEV-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.63
Rot. Bonds5

About 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one

1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one (PubChem CID 168773665) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one
PubChem CID168773665
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one
SMILESCOc1nc(NC2CC(C)(N3CCCC3=O)C2)nc2[nH]cc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C22H24N8O2/c1-22(30-6-3-4-16(30)31)8-14(9-22)26-20-27-18-17(19(28-20)32-2)15(11-24-18)13-10-25-21-23-5-7-29(21)12-13/h5,7,10-12,14H,3-4,6,8-9H2,1-2H3,(H2,24,26,27,28)
InChIKeyVSDIQXHIXGJOEV-UHFFFAOYSA-N
XLogP2.63
TPSA113.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one (CID 168773665) is 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one is COc1nc(NC2CC(C)(N3CCCC3=O)C2)nc2[nH]cc(-c3cnc4nccn4c3)c12.
What is the InChIKey of 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one?
The InChIKey is VSDIQXHIXGJOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-22(30-6-3-4-16(30)31)8-14(9-22)26-20-27-18-17(19(28-20)32-2)15(11-24-18)13-10-25-21-23-5-7-29(21)12-13/h5,7,10-12,14H,3-4,6,8-9H2,1-2H3,(H2,24,26,27,28).
What are the key properties of 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one?
1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one has a molecular weight of 432.49 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one is sourced from PubChem (CID 168773665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).