1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]methanamine

C14H20N4O3S — CID 97408450

IUPAC1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]methanamine
SMILESCN(Cc1cn2c(n1)CN(S(C)(=O)=O)CC2)Cc1ccco1
InChIInChI=1S/C14H20N4O3S/c1-16(10-13-4-3-7-21-13)8-12-9-17-5-6-18(22(2,19)20)11-14(17)15-12/h3-4,7,9H,5-6,8,10-11H2,1-2H3
InChIKeyHZTIQZWCMUCHBD-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.88
Rot. Bonds5

About 1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]methanamine

1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]methanamine (PubChem CID 97408450) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]methanamine
PubChem CID97408450
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]methanamine
SMILESCN(Cc1cn2c(n1)CN(S(C)(=O)=O)CC2)Cc1ccco1
InChIInChI=1S/C14H20N4O3S/c1-16(10-13-4-3-7-21-13)8-12-9-17-5-6-18(22(2,19)20)11-14(17)15-12/h3-4,7,9H,5-6,8,10-11H2,1-2H3
InChIKeyHZTIQZWCMUCHBD-UHFFFAOYSA-N
XLogP0.88
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-yl)-N-[[7-(furan-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-N-methylmethanamine
CID 97382177
1-(furan-2-yl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethyl)methanamine
CID 121229592
1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid)
CID 118746724
1-(furan-2-yl)-N-methyl-N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid)
CID 171688741
7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467389
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]methanamine;2,2,2-trifluoroacetic acid
CID 118742578
N-(furan-2-ylmethyl)-N-methyl-1-(8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methanamine;2,2,2-trifluoroacetic acid
CID 155845035
N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 18083462
(3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371394
N-(furan-2-ylmethyl)-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838025
N-(furan-2-ylmethyl)-N-methylpiperazine-1-sulfonamide
CID 43527042

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]methanamine (CID 97408450) is 1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]methanamine is CN(Cc1cn2c(n1)CN(S(C)(=O)=O)CC2)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]methanamine?
The InChIKey is HZTIQZWCMUCHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-16(10-13-4-3-7-21-13)8-12-9-17-5-6-18(22(2,19)20)11-14(17)15-12/h3-4,7,9H,5-6,8,10-11H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]methanamine?
1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]methanamine has a molecular weight of 324.41 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]methanamine is sourced from PubChem (CID 97408450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).