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

C25H30ClN7O — CID 90656298

IUPAC[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCc1cnc(-c2cc(N3CCn4cc(C(=O)N5CC(C)NC(C)C5)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C25H30ClN7O/c1-15-7-16(2)24(28-9-15)19-8-22(27-10-20(19)26)32-6-5-31-13-21(30-23(31)14-32)25(34)33-11-17(3)29-18(4)12-33/h7-10,13,17-18,29H,5-6,11-12,14H2,1-4H3
InChIKeyBTAYCTVTHRDDIF-UHFFFAOYSA-N
MW480.02 g/mol
LogP3.45
Rot. Bonds3

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

[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone (PubChem CID 90656298) has the molecular formula C25H30ClN7O and a molecular weight of 480.02 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]-(3,5-dimethylpiperazin-1-yl)methanone.

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]-(3,5-dimethylpiperazin-1-yl)methanone
PubChem CID90656298
Molecular FormulaC25H30ClN7O
Molecular Weight480.02 g/mol
Exact Mass479.22
IUPAC Name[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCc1cnc(-c2cc(N3CCn4cc(C(=O)N5CC(C)NC(C)C5)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C25H30ClN7O/c1-15-7-16(2)24(28-9-15)19-8-22(27-10-20(19)26)32-6-5-31-13-21(30-23(31)14-32)25(34)33-11-17(3)29-18(4)12-33/h7-10,13,17-18,29H,5-6,11-12,14H2,1-4H3
InChIKeyBTAYCTVTHRDDIF-UHFFFAOYSA-N
XLogP3.45
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.02
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone 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]-(3,5-dimethylpiperazin-1-yl)methanone?
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]-(3,5-dimethylpiperazin-1-yl)methanone (CID 90656298) is [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone.
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]-(3,5-dimethylpiperazin-1-yl)methanone?
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]-(3,5-dimethylpiperazin-1-yl)methanone is Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CC(C)NC(C)C5)nc4C3)ncc2Cl)c(C)c1.
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]-(3,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is BTAYCTVTHRDDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN7O/c1-15-7-16(2)24(28-9-15)19-8-22(27-10-20(19)26)32-6-5-31-13-21(30-23(31)14-32)25(34)33-11-17(3)29-18(4)12-33/h7-10,13,17-18,29H,5-6,11-12,14H2,1-4H3.
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]-(3,5-dimethylpiperazin-1-yl)methanone?
[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 480.02 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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]-(3,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 90656298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).