N-cyclopropyl-4-[8-[[(2R)-oxolan-2-yl]methylsulfanyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide

C27H26N4O2S — CID 131635848

IUPACN-cyclopropyl-4-[8-[[(2R)-oxolan-2-yl]methylsulfanyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(SC[C@H]4CCCO4)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C27H26N4O2S/c32-26(29-21-12-13-21)20-10-8-19(9-11-20)24-15-28-25-27(34-17-22-7-4-14-33-22)30-23(16-31(24)25)18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16,21-22H,4,7,12-14,17H2,(H,29,32)/t22-/m1/s1
InChIKeyIRLRCYAXRDACDM-JOCHJYFZSA-N
MW470.60 g/mol
LogP5.23
Rot. Bonds7

About N-cyclopropyl-4-[8-[[(2R)-oxolan-2-yl]methylsulfanyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[8-[[(2R)-oxolan-2-yl]methylsulfanyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 131635848) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-[[(2R)-oxolan-2-yl]methylsulfanyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-[[(2R)-oxolan-2-yl]methylsulfanyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID131635848
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC NameN-cyclopropyl-4-[8-[[(2R)-oxolan-2-yl]methylsulfanyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(SC[C@H]4CCCO4)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C27H26N4O2S/c32-26(29-21-12-13-21)20-10-8-19(9-11-20)24-15-28-25-27(34-17-22-7-4-14-33-22)30-23(16-31(24)25)18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16,21-22H,4,7,12-14,17H2,(H,29,32)/t22-/m1/s1
InChIKeyIRLRCYAXRDACDM-JOCHJYFZSA-N
XLogP5.23
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.60
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-[[(2R)-oxolan-2-yl]methylsulfanyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-[[(2R)-oxolan-2-yl]methylsulfanyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (CID 131635848) is N-cyclopropyl-4-[8-[[(2R)-oxolan-2-yl]methylsulfanyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-[[(2R)-oxolan-2-yl]methylsulfanyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-[[(2R)-oxolan-2-yl]methylsulfanyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(SC[C@H]4CCCO4)nc(-c4ccccc4)cn23)cc1.
What is the InChIKey of N-cyclopropyl-4-[8-[[(2R)-oxolan-2-yl]methylsulfanyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is IRLRCYAXRDACDM-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H26N4O2S/c32-26(29-21-12-13-21)20-10-8-19(9-11-20)24-15-28-25-27(34-17-22-7-4-14-33-22)30-23(16-31(24)25)18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16,21-22H,4,7,12-14,17H2,(H,29,32)/t22-/m1/s1.
What are the key properties of N-cyclopropyl-4-[8-[[(2R)-oxolan-2-yl]methylsulfanyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[8-[[(2R)-oxolan-2-yl]methylsulfanyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 470.60 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-[[(2R)-oxolan-2-yl]methylsulfanyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 131635848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).