phenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate

C25H22ClN5O2 — CID 90656305

IUPACphenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCc1cnc(-c2cc(N3CCn4cc(C(=O)Oc5ccccc5)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C25H22ClN5O2/c1-16-10-17(2)24(28-12-16)19-11-22(27-13-20(19)26)31-9-8-30-14-21(29-23(30)15-31)25(32)33-18-6-4-3-5-7-18/h3-7,10-14H,8-9,15H2,1-2H3
InChIKeyFIENVSBFZUFAFU-UHFFFAOYSA-N
MW459.94 g/mol
LogP4.85
Rot. Bonds4

About phenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate

phenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 90656305) has the molecular formula C25H22ClN5O2 and a molecular weight of 459.94 g/mol. Its IUPAC name is phenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namephenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID90656305
Molecular FormulaC25H22ClN5O2
Molecular Weight459.94 g/mol
Exact Mass459.15
IUPAC Namephenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCc1cnc(-c2cc(N3CCn4cc(C(=O)Oc5ccccc5)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C25H22ClN5O2/c1-16-10-17(2)24(28-12-16)19-11-22(27-13-20(19)26)31-9-8-30-14-21(29-23(30)15-31)25(32)33-18-6-4-3-5-7-18/h3-7,10-14H,8-9,15H2,1-2H3
InChIKeyFIENVSBFZUFAFU-UHFFFAOYSA-N
XLogP4.85
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.94
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of phenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate (CID 90656305) is phenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for phenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for phenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate is Cc1cnc(-c2cc(N3CCn4cc(C(=O)Oc5ccccc5)nc4C3)ncc2Cl)c(C)c1.
What is the InChIKey of phenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is FIENVSBFZUFAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O2/c1-16-10-17(2)24(28-12-16)19-11-22(27-13-20(19)26)31-9-8-30-14-21(29-23(30)15-31)25(32)33-18-6-4-3-5-7-18/h3-7,10-14H,8-9,15H2,1-2H3.
What are the key properties of phenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
phenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 459.94 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 90656305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).