4-tert-butyl-N-[2-fluoro-5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide

C34H33FN6O3 — CID 11606788

IUPAC4-tert-butyl-N-[2-fluoro-5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(-c3cn4ccnc4c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)ccc2F)cc1
InChIInChI=1S/C34H33FN6O3/c1-34(2,3)25-9-4-22(5-10-25)32(42)39-28-20-24(8-13-27(28)35)29-21-41-15-14-36-31(41)30(38-29)37-26-11-6-23(7-12-26)33(43)40-16-18-44-19-17-40/h4-15,20-21H,16-19H2,1-3H3,(H,37,38)(H,39,42)
InChIKeyGBMSXGNAHSKKME-UHFFFAOYSA-N
MW592.68 g/mol
LogP6.30
Rot. Bonds6

About 4-tert-butyl-N-[2-fluoro-5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide

4-tert-butyl-N-[2-fluoro-5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide (PubChem CID 11606788) has the molecular formula C34H33FN6O3 and a molecular weight of 592.68 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-fluoro-5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-fluoro-5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
PubChem CID11606788
Molecular FormulaC34H33FN6O3
Molecular Weight592.68 g/mol
Exact Mass592.26
IUPAC Name4-tert-butyl-N-[2-fluoro-5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(-c3cn4ccnc4c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)ccc2F)cc1
InChIInChI=1S/C34H33FN6O3/c1-34(2,3)25-9-4-22(5-10-25)32(42)39-28-20-24(8-13-27(28)35)29-21-41-15-14-36-31(41)30(38-29)37-26-11-6-23(7-12-26)33(43)40-16-18-44-19-17-40/h4-15,20-21H,16-19H2,1-3H3,(H,37,38)(H,39,42)
InChIKeyGBMSXGNAHSKKME-UHFFFAOYSA-N
XLogP6.30
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.68
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-fluoro-5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-fluoro-5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide (CID 11606788) is 4-tert-butyl-N-[2-fluoro-5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-fluoro-5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-fluoro-5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cc(-c3cn4ccnc4c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)ccc2F)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-fluoro-5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?
The InChIKey is GBMSXGNAHSKKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN6O3/c1-34(2,3)25-9-4-22(5-10-25)32(42)39-28-20-24(8-13-27(28)35)29-21-41-15-14-36-31(41)30(38-29)37-26-11-6-23(7-12-26)33(43)40-16-18-44-19-17-40/h4-15,20-21H,16-19H2,1-3H3,(H,37,38)(H,39,42).
What are the key properties of 4-tert-butyl-N-[2-fluoro-5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?
4-tert-butyl-N-[2-fluoro-5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide has a molecular weight of 592.68 g/mol, XLogP of 6.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-fluoro-5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide is sourced from PubChem (CID 11606788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).