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

C22H24ClN5O2 — CID 90656302

IUPACpropan-2-yl 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)OC(C)C)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C22H24ClN5O2/c1-13(2)30-22(29)18-11-27-5-6-28(12-20(27)26-18)19-8-16(17(23)10-24-19)21-15(4)7-14(3)9-25-21/h7-11,13H,5-6,12H2,1-4H3
InChIKeySHAWLEKYMYKBDX-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.20
Rot. Bonds4

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

propan-2-yl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 90656302) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is propan-2-yl 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 Namepropan-2-yl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID90656302
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Namepropan-2-yl 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)OC(C)C)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C22H24ClN5O2/c1-13(2)30-22(29)18-11-27-5-6-28(12-20(27)26-18)19-8-16(17(23)10-24-19)21-15(4)7-14(3)9-25-21/h7-11,13H,5-6,12H2,1-4H3
InChIKeySHAWLEKYMYKBDX-UHFFFAOYSA-N
XLogP4.20
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 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 propan-2-yl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate (CID 90656302) is propan-2-yl 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 propan-2-yl 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 propan-2-yl 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)OC(C)C)nc4C3)ncc2Cl)c(C)c1.
What is the InChIKey of propan-2-yl 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 SHAWLEKYMYKBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-13(2)30-22(29)18-11-27-5-6-28(12-20(27)26-18)19-8-16(17(23)10-24-19)21-15(4)7-14(3)9-25-21/h7-11,13H,5-6,12H2,1-4H3.
What are the key properties of propan-2-yl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
propan-2-yl 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 425.92 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 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 90656302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).