[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol

C38H41Cl3N10O2 — CID 160846331

IUPAC[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol
SMILESCc1cnc(-c2cc(Cl)ncc2Cl)c(C)c1.Cc1cnc(-c2cc(N3CCn4cc(CO)nc4C3)ncc2Cl)c(C)c1.OCc1cn2c(n1)CNCC2
InChIInChI=1S/C19H20ClN5O.C12H10Cl2N2.C7H11N3O/c1-12-5-13(2)19(22-7-12)15-6-17(21-8-16(15)20)25-4-3-24-9-14(11-26)23-18(24)10-25;1-7-3-8(2)12(16-5-7)9-4-11(14)15-6-10(9)13;11-5-6-4-10-2-1-8-3-7(10)9-6/h5-9,26H,3-4,10-11H2,1-2H3;3-6H,1-2H3;4,8,11H,1-3,5H2
InChIKeySIROFCQPASCBSU-UHFFFAOYSA-N
MW776.17 g/mol
LogP6.67
Rot. Bonds5

About [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol

[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol (PubChem CID 160846331) has the molecular formula C38H41Cl3N10O2 and a molecular weight of 776.17 g/mol. Its IUPAC name is [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol.

Molecular Properties

Compound Name[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol
PubChem CID160846331
Molecular FormulaC38H41Cl3N10O2
Molecular Weight776.17 g/mol
Exact Mass774.25
IUPAC Name[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol
SMILESCc1cnc(-c2cc(Cl)ncc2Cl)c(C)c1.Cc1cnc(-c2cc(N3CCn4cc(CO)nc4C3)ncc2Cl)c(C)c1.OCc1cn2c(n1)CNCC2
InChIInChI=1S/C19H20ClN5O.C12H10Cl2N2.C7H11N3O/c1-12-5-13(2)19(22-7-12)15-6-17(21-8-16(15)20)25-4-3-24-9-14(11-26)23-18(24)10-25;1-7-3-8(2)12(16-5-7)9-4-11(14)15-6-10(9)13;11-5-6-4-10-2-1-8-3-7(10)9-6/h5-9,26H,3-4,10-11H2,1-2H3;3-6H,1-2H3;4,8,11H,1-3,5H2
InChIKeySIROFCQPASCBSU-UHFFFAOYSA-N
XLogP6.67
TPSA142.93 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500776.17
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol?
The IUPAC name of [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol (CID 160846331) is [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol.
What is the SMILES notation for [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol?
The canonical SMILES for [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol is Cc1cnc(-c2cc(Cl)ncc2Cl)c(C)c1.Cc1cnc(-c2cc(N3CCn4cc(CO)nc4C3)ncc2Cl)c(C)c1.OCc1cn2c(n1)CNCC2.
What is the InChIKey of [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol?
The InChIKey is SIROFCQPASCBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O.C12H10Cl2N2.C7H11N3O/c1-12-5-13(2)19(22-7-12)15-6-17(21-8-16(15)20)25-4-3-24-9-14(11-26)23-18(24)10-25;1-7-3-8(2)12(16-5-7)9-4-11(14)15-6-10(9)13;11-5-6-4-10-2-1-8-3-7(10)9-6/h5-9,26H,3-4,10-11H2,1-2H3;3-6H,1-2H3;4,8,11H,1-3,5H2.
What are the key properties of [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol?
[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol has a molecular weight of 776.17 g/mol, XLogP of 6.67, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol is sourced from PubChem (CID 160846331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).