5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid

C28H26N6O3 — CID 67976568

IUPAC5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid
SMILESO=C(O)NCC#CCCNc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C28H26N6O3/c35-27(32-22-13-14-22)21-11-9-20(10-12-21)24-17-31-26-25(29-15-5-2-6-16-30-28(36)37)33-23(18-34(24)26)19-7-3-1-4-8-19/h1,3-4,7-12,17-18,22,30H,5,13-16H2,(H,29,33)(H,32,35)(H,36,37)
InChIKeyAQUYAIPEGJZRFL-UHFFFAOYSA-N
MW494.56 g/mol
LogP4.03
Rot. Bonds8

About 5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid

5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid (PubChem CID 67976568) has the molecular formula C28H26N6O3 and a molecular weight of 494.56 g/mol. Its IUPAC name is 5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid.

Molecular Properties

Compound Name5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid
PubChem CID67976568
Molecular FormulaC28H26N6O3
Molecular Weight494.56 g/mol
Exact Mass494.21
IUPAC Name5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid
SMILESO=C(O)NCC#CCCNc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C28H26N6O3/c35-27(32-22-13-14-22)21-11-9-20(10-12-21)24-17-31-26-25(29-15-5-2-6-16-30-28(36)37)33-23(18-34(24)26)19-7-3-1-4-8-19/h1,3-4,7-12,17-18,22,30H,5,13-16H2,(H,29,33)(H,32,35)(H,36,37)
InChIKeyAQUYAIPEGJZRFL-UHFFFAOYSA-N
XLogP4.03
TPSA120.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973429
N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381452
4-[8-(2-aminopropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 67973384
N-cyclopropyl-4-[6-phenyl-8-(2-sulfamoylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67990733
N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90256676
N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381227
N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381228
N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973299
N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389614
N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67976879
3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide
CID 67972903
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 57380552

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid?
The IUPAC name of 5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid (CID 67976568) is 5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid.
What is the SMILES notation for 5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid?
The canonical SMILES for 5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid is O=C(O)NCC#CCCNc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of 5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid?
The InChIKey is AQUYAIPEGJZRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O3/c35-27(32-22-13-14-22)21-11-9-20(10-12-21)24-17-31-26-25(29-15-5-2-6-16-30-28(36)37)33-23(18-34(24)26)19-7-3-1-4-8-19/h1,3-4,7-12,17-18,22,30H,5,13-16H2,(H,29,33)(H,32,35)(H,36,37).
What are the key properties of 5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid?
5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid has a molecular weight of 494.56 g/mol, XLogP of 4.03, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid is sourced from PubChem (CID 67976568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).