5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one

C23H23N7O3 — CID 157417948

IUPAC5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one
SMILESCc1cnc2ccc(-c3nc(C(=O)CCC4CCC(=O)N4C)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C23H23N7O3/c1-13-11-26-17-7-3-14(12-30(13)17)19-21(23-25-9-10-33-23)28-22(24)20(27-19)16(31)6-4-15-5-8-18(32)29(15)2/h3,7,9-12,15H,4-6,8H2,1-2H3,(H2,24,28)
InChIKeyBPBLQNVUTKWQRC-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.92
Rot. Bonds6

About 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one

5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one (PubChem CID 157417948) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one
PubChem CID157417948
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one
SMILESCc1cnc2ccc(-c3nc(C(=O)CCC4CCC(=O)N4C)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C23H23N7O3/c1-13-11-26-17-7-3-14(12-30(13)17)19-21(23-25-9-10-33-23)28-22(24)20(27-19)16(31)6-4-15-5-8-18(32)29(15)2/h3,7,9-12,15H,4-6,8H2,1-2H3,(H2,24,28)
InChIKeyBPBLQNVUTKWQRC-UHFFFAOYSA-N
XLogP2.92
TPSA132.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one (CID 157417948) is 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one is Cc1cnc2ccc(-c3nc(C(=O)CCC4CCC(=O)N4C)c(N)nc3-c3ncco3)cn12.
What is the InChIKey of 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one?
The InChIKey is BPBLQNVUTKWQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-13-11-26-17-7-3-14(12-30(13)17)19-21(23-25-9-10-33-23)28-22(24)20(27-19)16(31)6-4-15-5-8-18(32)29(15)2/h3,7,9-12,15H,4-6,8H2,1-2H3,(H2,24,28).
What are the key properties of 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one?
5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one has a molecular weight of 445.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 157417948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).