N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide;N-cyclopropyl-4-(8-pentylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide

C50H48N8O4S2 — CID 157053930

IUPACN-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide;N-cyclopropyl-4-(8-pentylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
SMILESCCCCCSc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.CS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C27H28N4OS.C23H20N4O3S/c1-2-3-7-16-33-27-25-28-17-24(31(25)18-23(30-27)19-8-5-4-6-9-19)20-10-12-21(13-11-20)26(32)29-22-14-15-22;1-31(29,30)23-21-24-13-20(27(21)14-19(26-23)15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(28)25-18-11-12-18/h4-6,8-13,17-18,22H,2-3,7,14-16H2,1H3,(H,29,32);2-10,13-14,18H,11-12H2,1H3,(H,25,28)
InChIKeyAANIRRFGLNCZOG-UHFFFAOYSA-N
MW889.12 g/mol
LogP9.60
Rot. Bonds14

About N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide;N-cyclopropyl-4-(8-pentylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide

N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide;N-cyclopropyl-4-(8-pentylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide (PubChem CID 157053930) has the molecular formula C50H48N8O4S2 and a molecular weight of 889.12 g/mol. Its IUPAC name is N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide;N-cyclopropyl-4-(8-pentylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide;N-cyclopropyl-4-(8-pentylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
PubChem CID157053930
Molecular FormulaC50H48N8O4S2
Molecular Weight889.12 g/mol
Exact Mass888.32
IUPAC NameN-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide;N-cyclopropyl-4-(8-pentylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
SMILESCCCCCSc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.CS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C27H28N4OS.C23H20N4O3S/c1-2-3-7-16-33-27-25-28-17-24(31(25)18-23(30-27)19-8-5-4-6-9-19)20-10-12-21(13-11-20)26(32)29-22-14-15-22;1-31(29,30)23-21-24-13-20(27(21)14-19(26-23)15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(28)25-18-11-12-18/h4-6,8-13,17-18,22H,2-3,7,14-16H2,1H3,(H,29,32);2-10,13-14,18H,11-12H2,1H3,(H,25,28)
InChIKeyAANIRRFGLNCZOG-UHFFFAOYSA-N
XLogP9.60
TPSA152.72 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500889.12
LogP ≤ 59.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(RS) N-cyclopropyl-4-{6-[4-(cyclopropylsulfinyl)phenyl]-8-(isobutylamino)imidazo[1,2-a]pyrazin-3-yl}benzamide
CID 67973689
4-{[2-(Benzylsulfanyl)-3H-imidazo[4,5-B]pyridin-3-YL]methyl}-N-[2-(2-methylpiperidin-1-YL)ethyl]benzamide
CID 16011445
4-{[2-(Benzylsulfanyl)-3H-imidazo[4,5-B]pyridin-3-YL]methyl}-N-[2-(4-methylpiperidin-1-YL)ethyl]benzamide
CID 16011466
N-Cyclopropyl-4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-B]pyridin-3-YL)methyl]benzamide
CID 16020880
4-[(2-{[(4-Methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-B]pyridin-3-YL)methyl]-N-(2-phenylethyl)benzamide
CID 16020882
N-Cyclohexyl-4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-B]pyridin-3-YL)methyl]benzamide
CID 16020886
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-(methylsulfonyl)pyridin-2-yl)benzamide
CID 45268465
N-cyclopropyl-4-[8-(4-hydroxybutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53373574
N-cyclopropyl-4-(6-phenyl-8-propan-2-ylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide
CID 53389611
N-cyclopropyl-4-[8-(2-methylpropylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389612
N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389614
N-cyclopropyl-4-[8-(3-methylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389615

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide;N-cyclopropyl-4-(8-pentylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide;N-cyclopropyl-4-(8-pentylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide (CID 157053930) is N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide;N-cyclopropyl-4-(8-pentylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide;N-cyclopropyl-4-(8-pentylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide;N-cyclopropyl-4-(8-pentylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide is CCCCCSc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.CS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide;N-cyclopropyl-4-(8-pentylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The InChIKey is AANIRRFGLNCZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4OS.C23H20N4O3S/c1-2-3-7-16-33-27-25-28-17-24(31(25)18-23(30-27)19-8-5-4-6-9-19)20-10-12-21(13-11-20)26(32)29-22-14-15-22;1-31(29,30)23-21-24-13-20(27(21)14-19(26-23)15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(28)25-18-11-12-18/h4-6,8-13,17-18,22H,2-3,7,14-16H2,1H3,(H,29,32);2-10,13-14,18H,11-12H2,1H3,(H,25,28).
What are the key properties of N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide;N-cyclopropyl-4-(8-pentylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide?
N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide;N-cyclopropyl-4-(8-pentylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide has a molecular weight of 889.12 g/mol, XLogP of 9.60, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide;N-cyclopropyl-4-(8-pentylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide is sourced from PubChem (CID 157053930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).