tert-butyl 4-[5-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C26H28N6O2 — CID 171717351

IUPACtert-butyl 4-[5-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cn2cc(-c3cccc4c(C5=CCN(C(=O)OC(C)(C)C)CC5)nncc34)nc2c(C)n1
InChIInChI=1S/C26H28N6O2/c1-16-14-32-15-22(29-24(32)17(2)28-16)19-7-6-8-20-21(19)13-27-30-23(20)18-9-11-31(12-10-18)25(33)34-26(3,4)5/h6-9,13-15H,10-12H2,1-5H3
InChIKeyDNHVEWFAYZXHSD-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.98
Rot. Bonds2

About tert-butyl 4-[5-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[5-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 171717351) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is tert-butyl 4-[5-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID171717351
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Nametert-butyl 4-[5-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cn2cc(-c3cccc4c(C5=CCN(C(=O)OC(C)(C)C)CC5)nncc34)nc2c(C)n1
InChIInChI=1S/C26H28N6O2/c1-16-14-32-15-22(29-24(32)17(2)28-16)19-7-6-8-20-21(19)13-27-30-23(20)18-9-11-31(12-10-18)25(33)34-26(3,4)5/h6-9,13-15H,10-12H2,1-5H3
InChIKeyDNHVEWFAYZXHSD-UHFFFAOYSA-N
XLogP4.98
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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tert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 171717351) is tert-butyl 4-[5-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1cn2cc(-c3cccc4c(C5=CCN(C(=O)OC(C)(C)C)CC5)nncc34)nc2c(C)n1.
What is the InChIKey of tert-butyl 4-[5-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is DNHVEWFAYZXHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-16-14-32-15-22(29-24(32)17(2)28-16)19-7-6-8-20-21(19)13-27-30-23(20)18-9-11-31(12-10-18)25(33)34-26(3,4)5/h6-9,13-15H,10-12H2,1-5H3.
What are the key properties of tert-butyl 4-[5-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[5-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 456.55 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 171717351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).