5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one

C25H26N4O2 — CID 22015579

IUPAC5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one
SMILESCN1CCN(Cc2ccc(-c3cc4noc(-c5ccccc5)c4c(=O)n3C)cc2)CC1
InChIInChI=1S/C25H26N4O2/c1-27-12-14-29(15-13-27)17-18-8-10-19(11-9-18)22-16-21-23(25(30)28(22)2)24(31-26-21)20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3
InChIKeyDPSRMQARUGRPPL-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.61
Rot. Bonds4

About 5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one

5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one (PubChem CID 22015579) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one
PubChem CID22015579
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one
SMILESCN1CCN(Cc2ccc(-c3cc4noc(-c5ccccc5)c4c(=O)n3C)cc2)CC1
InChIInChI=1S/C25H26N4O2/c1-27-12-14-29(15-13-27)17-18-8-10-19(11-9-18)22-16-21-23(25(30)28(22)2)24(31-26-21)20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3
InChIKeyDPSRMQARUGRPPL-UHFFFAOYSA-N
XLogP3.61
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one?
The IUPAC name of 5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one (CID 22015579) is 5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one is CN1CCN(Cc2ccc(-c3cc4noc(-c5ccccc5)c4c(=O)n3C)cc2)CC1.
What is the InChIKey of 5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one?
The InChIKey is DPSRMQARUGRPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-27-12-14-29(15-13-27)17-18-8-10-19(11-9-18)22-16-21-23(25(30)28(22)2)24(31-26-21)20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3.
What are the key properties of 5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one?
5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one has a molecular weight of 414.51 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 22015579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).