5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one

C26H27N7O3 — CID 129057672

IUPAC5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one
SMILESCNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(CCN5CCCC5=O)c4)cnc3N)on2)cc1
InChIInChI=1S/C26H27N7O3/c1-28-14-17-4-6-18(7-5-17)20-13-22(36-31-20)25-26(27)29-15-21(30-25)19-8-9-24(35)33(16-19)12-11-32-10-2-3-23(32)34/h4-9,13,15-16,28H,2-3,10-12,14H2,1H3,(H2,27,29)
InChIKeyYVAWQZIGSGBZQV-UHFFFAOYSA-N
MW485.55 g/mol
LogP2.55
Rot. Bonds8

About 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one

5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one (PubChem CID 129057672) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one
PubChem CID129057672
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC Name5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one
SMILESCNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(CCN5CCCC5=O)c4)cnc3N)on2)cc1
InChIInChI=1S/C26H27N7O3/c1-28-14-17-4-6-18(7-5-17)20-13-22(36-31-20)25-26(27)29-15-21(30-25)19-8-9-24(35)33(16-19)12-11-32-10-2-3-23(32)34/h4-9,13,15-16,28H,2-3,10-12,14H2,1H3,(H2,27,29)
InChIKeyYVAWQZIGSGBZQV-UHFFFAOYSA-N
XLogP2.55
TPSA132.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one (CID 129057672) is 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one is CNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(CCN5CCCC5=O)c4)cnc3N)on2)cc1.
What is the InChIKey of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is YVAWQZIGSGBZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-28-14-17-4-6-18(7-5-17)20-13-22(36-31-20)25-26(27)29-15-21(30-25)19-8-9-24(35)33(16-19)12-11-32-10-2-3-23(32)34/h4-9,13,15-16,28H,2-3,10-12,14H2,1H3,(H2,27,29).
What are the key properties of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one?
5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 485.55 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 129057672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).