N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide

C27H29N5O2S — CID 67974322

IUPACN-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCC(C)(C)O)nc(Sc4ccccc4)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C27H29N5O2S/c1-17-13-18(9-12-21(17)26(33)30-19-10-11-19)22-14-28-25-24(29-16-27(2,3)34)31-23(15-32(22)25)35-20-7-5-4-6-8-20/h4-9,12-15,19,34H,10-11,16H2,1-3H3,(H,29,31)(H,30,33)
InChIKeyMGDGFNCHEOCWAP-UHFFFAOYSA-N
MW487.63 g/mol
LogP4.93
Rot. Bonds8

About N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide

N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide (PubChem CID 67974322) has the molecular formula C27H29N5O2S and a molecular weight of 487.63 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
PubChem CID67974322
Molecular FormulaC27H29N5O2S
Molecular Weight487.63 g/mol
Exact Mass487.20
IUPAC NameN-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCC(C)(C)O)nc(Sc4ccccc4)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C27H29N5O2S/c1-17-13-18(9-12-21(17)26(33)30-19-10-11-19)22-14-28-25-24(29-16-27(2,3)34)31-23(15-32(22)25)35-20-7-5-4-6-8-20/h4-9,12-15,19,34H,10-11,16H2,1-3H3,(H,29,31)(H,30,33)
InChIKeyMGDGFNCHEOCWAP-UHFFFAOYSA-N
XLogP4.93
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide?
The IUPAC name of N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide (CID 67974322) is N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide is Cc1cc(-c2cnc3c(NCC(C)(C)O)nc(Sc4ccccc4)cn23)ccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide?
The InChIKey is MGDGFNCHEOCWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2S/c1-17-13-18(9-12-21(17)26(33)30-19-10-11-19)22-14-28-25-24(29-16-27(2,3)34)31-23(15-32(22)25)35-20-7-5-4-6-8-20/h4-9,12-15,19,34H,10-11,16H2,1-3H3,(H,29,31)(H,30,33).
What are the key properties of N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide?
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide has a molecular weight of 487.63 g/mol, XLogP of 4.93, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 67974322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).