1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone

C20H26N6O2 — CID 131680226

IUPAC1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone
SMILESCN(Cc1ccco1)Cc1cnc2n1CCN(C(=O)Cc1ccn(C)n1)CC2
InChIInChI=1S/C20H26N6O2/c1-23(15-18-4-3-11-28-18)14-17-13-21-19-6-8-25(9-10-26(17)19)20(27)12-16-5-7-24(2)22-16/h3-5,7,11,13H,6,8-10,12,14-15H2,1-2H3
InChIKeyMIARARWETSIAFH-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.47
Rot. Bonds6

About 1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone

1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone (PubChem CID 131680226) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone
PubChem CID131680226
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone
SMILESCN(Cc1ccco1)Cc1cnc2n1CCN(C(=O)Cc1ccn(C)n1)CC2
InChIInChI=1S/C20H26N6O2/c1-23(15-18-4-3-11-28-18)14-17-13-21-19-6-8-25(9-10-26(17)19)20(27)12-16-5-7-24(2)22-16/h3-5,7,11,13H,6,8-10,12,14-15H2,1-2H3
InChIKeyMIARARWETSIAFH-UHFFFAOYSA-N
XLogP1.47
TPSA72.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone with MolForge

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Related Compounds

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
1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid)
CID 155836587
1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride
CID 118742086
3-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carbonyl]benzonitrile
CID 97390176
(3-chlorophenyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 155876586
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
N-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide
CID 8620861
N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 18083462
N-[[7-(furan-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 118743683
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone
CID 9331932
N,N-dimethyl-1-[7-[(5-methylfuran-2-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine
CID 97466923
1-(furan-2-yl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethyl)methanamine
CID 121229592

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone (CID 131680226) is 1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone is CN(Cc1ccco1)Cc1cnc2n1CCN(C(=O)Cc1ccn(C)n1)CC2.
What is the InChIKey of 1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is MIARARWETSIAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-23(15-18-4-3-11-28-18)14-17-13-21-19-6-8-25(9-10-26(17)19)20(27)12-16-5-7-24(2)22-16/h3-5,7,11,13H,6,8-10,12,14-15H2,1-2H3.
What are the key properties of 1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone?
1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 382.47 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 131680226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).