8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C19H29N5O — CID 131659648

IUPAC8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCc1ccc(CN2CCn3c(CN4CCN(C)CC4)cnc3C2C)o1
InChIInChI=1S/C19H29N5O/c1-15-4-5-18(25-15)14-23-10-11-24-17(12-20-19(24)16(23)2)13-22-8-6-21(3)7-9-22/h4-5,12,16H,6-11,13-14H2,1-3H3
InChIKeyBHBHPQWOUIYTMK-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.11
Rot. Bonds4

About 8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 131659648) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID131659648
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCc1ccc(CN2CCn3c(CN4CCN(C)CC4)cnc3C2C)o1
InChIInChI=1S/C19H29N5O/c1-15-4-5-18(25-15)14-23-10-11-24-17(12-20-19(24)16(23)2)13-22-8-6-21(3)7-9-22/h4-5,12,16H,6-11,13-14H2,1-3H3
InChIKeyBHBHPQWOUIYTMK-UHFFFAOYSA-N
XLogP2.11
TPSA40.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 131659648) is 8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is Cc1ccc(CN2CCn3c(CN4CCN(C)CC4)cnc3C2C)o1.
What is the InChIKey of 8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is BHBHPQWOUIYTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-15-4-5-18(25-15)14-23-10-11-24-17(12-20-19(24)16(23)2)13-22-8-6-21(3)7-9-22/h4-5,12,16H,6-11,13-14H2,1-3H3.
What are the key properties of 8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 343.48 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 131659648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).