4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine

C23H27ClN6O — CID 90286529

IUPAC4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine
SMILESCc1cnc(-c2cc(N3CCn4cc(CN5CCOCC5)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C23H27ClN6O/c1-16-9-17(2)23(26-11-16)19-10-21(25-12-20(19)24)30-4-3-29-14-18(27-22(29)15-30)13-28-5-7-31-8-6-28/h9-12,14H,3-8,13,15H2,1-2H3
InChIKeyTUNZLIIQCKXKEA-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.46
Rot. Bonds4

About 4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine

4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine (PubChem CID 90286529) has the molecular formula C23H27ClN6O and a molecular weight of 438.96 g/mol. Its IUPAC name is 4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine
PubChem CID90286529
Molecular FormulaC23H27ClN6O
Molecular Weight438.96 g/mol
Exact Mass438.19
IUPAC Name4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine
SMILESCc1cnc(-c2cc(N3CCn4cc(CN5CCOCC5)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C23H27ClN6O/c1-16-9-17(2)23(26-11-16)19-10-21(25-12-20(19)24)30-4-3-29-14-18(27-22(29)15-30)13-28-5-7-31-8-6-28/h9-12,14H,3-8,13,15H2,1-2H3
InChIKeyTUNZLIIQCKXKEA-UHFFFAOYSA-N
XLogP3.46
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine (CID 90286529) is 4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine is Cc1cnc(-c2cc(N3CCn4cc(CN5CCOCC5)nc4C3)ncc2Cl)c(C)c1.
What is the InChIKey of 4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine?
The InChIKey is TUNZLIIQCKXKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O/c1-16-9-17(2)23(26-11-16)19-10-21(25-12-20(19)24)30-4-3-29-14-18(27-22(29)15-30)13-28-5-7-31-8-6-28/h9-12,14H,3-8,13,15H2,1-2H3.
What are the key properties of 4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine?
4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine has a molecular weight of 438.96 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine is sourced from PubChem (CID 90286529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).