N-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

C38H36F2N8O3 — CID 162374360

IUPACN-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(=O)N1c2ccc(-c3ccc(CNC(=O)c4cn5cc(-n6c(C(F)F)nc7ccccc76)nc(N6CCOCC6)c5n4)cc3)cc2CC[C@@H]1C
InChIInChI=1S/C38H36F2N8O3/c1-23-7-10-28-19-27(13-14-31(28)47(23)24(2)49)26-11-8-25(9-12-26)20-41-38(50)30-21-46-22-33(44-37(36(46)43-30)45-15-17-51-18-16-45)48-32-6-4-3-5-29(32)42-35(48)34(39)40/h3-6,8-9,11-14,19,21-23,34H,7,10,15-18,20H2,1-2H3,(H,41,50)/t23-/m0/s1
InChIKeyCMUQHFNHJFSGMT-QHCPKHFHSA-N
MW690.76 g/mol
LogP6.13
Rot. Bonds7

About N-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

N-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 162374360) has the molecular formula C38H36F2N8O3 and a molecular weight of 690.76 g/mol. Its IUPAC name is N-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID162374360
Molecular FormulaC38H36F2N8O3
Molecular Weight690.76 g/mol
Exact Mass690.29
IUPAC NameN-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(=O)N1c2ccc(-c3ccc(CNC(=O)c4cn5cc(-n6c(C(F)F)nc7ccccc76)nc(N6CCOCC6)c5n4)cc3)cc2CC[C@@H]1C
InChIInChI=1S/C38H36F2N8O3/c1-23-7-10-28-19-27(13-14-31(28)47(23)24(2)49)26-11-8-25(9-12-26)20-41-38(50)30-21-46-22-33(44-37(36(46)43-30)45-15-17-51-18-16-45)48-32-6-4-3-5-29(32)42-35(48)34(39)40/h3-6,8-9,11-14,19,21-23,34H,7,10,15-18,20H2,1-2H3,(H,41,50)/t23-/m0/s1
InChIKeyCMUQHFNHJFSGMT-QHCPKHFHSA-N
XLogP6.13
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.76
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (CID 162374360) is N-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is CC(=O)N1c2ccc(-c3ccc(CNC(=O)c4cn5cc(-n6c(C(F)F)nc7ccccc76)nc(N6CCOCC6)c5n4)cc3)cc2CC[C@@H]1C.
What is the InChIKey of N-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is CMUQHFNHJFSGMT-QHCPKHFHSA-N. The full InChI is InChI=1S/C38H36F2N8O3/c1-23-7-10-28-19-27(13-14-31(28)47(23)24(2)49)26-11-8-25(9-12-26)20-41-38(50)30-21-46-22-33(44-37(36(46)43-30)45-15-17-51-18-16-45)48-32-6-4-3-5-29(32)42-35(48)34(39)40/h3-6,8-9,11-14,19,21-23,34H,7,10,15-18,20H2,1-2H3,(H,41,50)/t23-/m0/s1.
What are the key properties of N-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
N-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 690.76 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 162374360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).