N-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide

C51H44F6N10O4 — CID 130425569

IUPACN-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cn2cc(C[C@@H]3COCCN3c3nc(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4C)cn4ccnc34)nc2c(N2CCOCC2)n1
InChIInChI=1S/C51H44F6N10O4/c1-30-9-11-36(60-48(68)32-5-3-7-34(21-32)50(52,53)54)24-40(30)42-27-65-14-13-58-44(65)47(63-42)67-17-20-71-29-39(67)23-38-26-66-28-43(62-46(45(66)59-38)64-15-18-70-19-16-64)41-25-37(12-10-31(41)2)61-49(69)33-6-4-8-35(22-33)51(55,56)57/h3-14,21-22,24-28,39H,15-20,23,29H2,1-2H3,(H,60,68)(H,61,69)/t39-/m1/s1
InChIKeyPRTQNZITPPZEFD-LDLOPFEMSA-N
MW974.97 g/mol
LogP9.55
Rot. Bonds10

About N-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 130425569) has the molecular formula C51H44F6N10O4 and a molecular weight of 974.97 g/mol. Its IUPAC name is N-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID130425569
Molecular FormulaC51H44F6N10O4
Molecular Weight974.97 g/mol
Exact Mass974.35
IUPAC NameN-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cn2cc(C[C@@H]3COCCN3c3nc(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4C)cn4ccnc34)nc2c(N2CCOCC2)n1
InChIInChI=1S/C51H44F6N10O4/c1-30-9-11-36(60-48(68)32-5-3-7-34(21-32)50(52,53)54)24-40(30)42-27-65-14-13-58-44(65)47(63-42)67-17-20-71-29-39(67)23-38-26-66-28-43(62-46(45(66)59-38)64-15-18-70-19-16-64)41-25-37(12-10-31(41)2)61-49(69)33-6-4-8-35(22-33)51(55,56)57/h3-14,21-22,24-28,39H,15-20,23,29H2,1-2H3,(H,60,68)(H,61,69)/t39-/m1/s1
InChIKeyPRTQNZITPPZEFD-LDLOPFEMSA-N
XLogP9.55
TPSA143.52 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500974.97
LogP ≤ 59.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 130425569) is N-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cn2cc(C[C@@H]3COCCN3c3nc(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4C)cn4ccnc34)nc2c(N2CCOCC2)n1.
What is the InChIKey of N-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PRTQNZITPPZEFD-LDLOPFEMSA-N. The full InChI is InChI=1S/C51H44F6N10O4/c1-30-9-11-36(60-48(68)32-5-3-7-34(21-32)50(52,53)54)24-40(30)42-27-65-14-13-58-44(65)47(63-42)67-17-20-71-29-39(67)23-38-26-66-28-43(62-46(45(66)59-38)64-15-18-70-19-16-64)41-25-37(12-10-31(41)2)61-49(69)33-6-4-8-35(22-33)51(55,56)57/h3-14,21-22,24-28,39H,15-20,23,29H2,1-2H3,(H,60,68)(H,61,69)/t39-/m1/s1.
What are the key properties of N-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 974.97 g/mol, XLogP of 9.55, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 130425569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).