4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide

C27H26F2N6O4 — CID 147070094

IUPAC4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide
SMILESCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCCN1CCOCC1=O
InChIInChI=1S/C27H26F2N6O4/c1-17-14-19(4-7-21(17)26(37)31-8-10-34-12-13-38-16-23(34)36)33-24-25-32-15-22(35(25)11-9-30-24)18-2-5-20(6-3-18)39-27(28)29/h2-7,9,11,14-15,27H,8,10,12-13,16H2,1H3,(H,30,33)(H,31,37)
InChIKeyBEWKDVWGUISZHG-UHFFFAOYSA-N
MW536.54 g/mol
LogP3.64
Rot. Bonds9

About 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide

4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide (PubChem CID 147070094) has the molecular formula C27H26F2N6O4 and a molecular weight of 536.54 g/mol. Its IUPAC name is 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide
PubChem CID147070094
Molecular FormulaC27H26F2N6O4
Molecular Weight536.54 g/mol
Exact Mass536.20
IUPAC Name4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide
SMILESCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCCN1CCOCC1=O
InChIInChI=1S/C27H26F2N6O4/c1-17-14-19(4-7-21(17)26(37)31-8-10-34-12-13-38-16-23(34)36)33-24-25-32-15-22(35(25)11-9-30-24)18-2-5-20(6-3-18)39-27(28)29/h2-7,9,11,14-15,27H,8,10,12-13,16H2,1H3,(H,30,33)(H,31,37)
InChIKeyBEWKDVWGUISZHG-UHFFFAOYSA-N
XLogP3.64
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.54
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide?
The IUPAC name of 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide (CID 147070094) is 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide?
The canonical SMILES for 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide is Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCCN1CCOCC1=O.
What is the InChIKey of 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide?
The InChIKey is BEWKDVWGUISZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O4/c1-17-14-19(4-7-21(17)26(37)31-8-10-34-12-13-38-16-23(34)36)33-24-25-32-15-22(35(25)11-9-30-24)18-2-5-20(6-3-18)39-27(28)29/h2-7,9,11,14-15,27H,8,10,12-13,16H2,1H3,(H,30,33)(H,31,37).
What are the key properties of 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide?
4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide has a molecular weight of 536.54 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide is sourced from PubChem (CID 147070094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).