1-[3-[[5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one

C23H24FN7O2 — CID 168772381

IUPAC1-[3-[[5-(8-fluoroimidazo[1,2-a]pyridin-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(-c3cc(F)c4nccn4c3)c12
InChIInChI=1S/C23H24FN7O2/c1-23(31-6-3-4-17(31)32)9-14(10-23)27-22-28-19-18(21(29-22)33-2)15(11-26-19)13-8-16(24)20-25-5-7-30(20)12-13/h5,7-8,11-12,14H,3-4,6,9-10H2,1-2H3,(H2,26,27,28,29)
InChIKeyWVDVXMDOGHWMBJ-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.38
Rot. Bonds5

About 1-[3-[[5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one

1-[3-[[5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one (PubChem CID 168772381) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 1-[3-[[5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one
PubChem CID168772381
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name1-[3-[[5-(8-fluoroimidazo[1,2-a]pyridin-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(-c3cc(F)c4nccn4c3)c12
InChIInChI=1S/C23H24FN7O2/c1-23(31-6-3-4-17(31)32)9-14(10-23)27-22-28-19-18(21(29-22)33-2)15(11-26-19)13-8-16(24)20-25-5-7-30(20)12-13/h5,7-8,11-12,14H,3-4,6,9-10H2,1-2H3,(H2,26,27,28,29)
InChIKeyWVDVXMDOGHWMBJ-UHFFFAOYSA-N
XLogP3.38
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-[[5-(8-fluoroimidazo[1,2-a]pyridin-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-(8-fluoroimidazo[1,2-a]pyridin-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-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one (CID 168772381) is 1-[3-[[5-(8-fluoroimidazo[1,2-a]pyridin-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-(8-fluoroimidazo[1,2-a]pyridin-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-(8-fluoroimidazo[1,2-a]pyridin-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(-c3cc(F)c4nccn4c3)c12.
What is the InChIKey of 1-[3-[[5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one?
The InChIKey is WVDVXMDOGHWMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-23(31-6-3-4-17(31)32)9-14(10-23)27-22-28-19-18(21(29-22)33-2)15(11-26-19)13-8-16(24)20-25-5-7-30(20)12-13/h5,7-8,11-12,14H,3-4,6,9-10H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 1-[3-[[5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one?
1-[3-[[5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one has a molecular weight of 449.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one is sourced from PubChem (CID 168772381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).