[3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone

C18H26N6O — CID 97390192

IUPAC[3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCc3ncc(CN(C)C(C)C)n3CC2)cn1
InChIInChI=1S/C18H26N6O/c1-13(2)22(4)12-15-10-21-17-5-6-23(7-8-24(15)17)18(25)16-11-19-14(3)9-20-16/h9-11,13H,5-8,12H2,1-4H3
InChIKeyCHXUHRODOUEZGZ-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.52
Rot. Bonds4

About [3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone

[3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 97390192) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is [3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID97390192
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name[3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCc3ncc(CN(C)C(C)C)n3CC2)cn1
InChIInChI=1S/C18H26N6O/c1-13(2)22(4)12-15-10-21-17-5-6-23(7-8-24(15)17)18(25)16-11-19-14(3)9-20-16/h9-11,13H,5-8,12H2,1-4H3
InChIKeyCHXUHRODOUEZGZ-UHFFFAOYSA-N
XLogP1.52
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone with MolForge

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Related Compounds

(3-chlorophenyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 155876586
[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(3-fluorophenyl)methanone
CID 97466939
2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62317076
N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97390202
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
(5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97467143
[3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone
CID 134075143
(5-methylpyrazin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346703
N-methyl-N-[[7-(oxolan-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine
CID 131658058
[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone
CID 124813693
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
N-[[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118745925

Frequently Asked Questions

What is the IUPAC name of [3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone (CID 97390192) is [3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCc3ncc(CN(C)C(C)C)n3CC2)cn1.
What is the InChIKey of [3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is CHXUHRODOUEZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13(2)22(4)12-15-10-21-17-5-6-23(7-8-24(15)17)18(25)16-11-19-14(3)9-20-16/h9-11,13H,5-8,12H2,1-4H3.
What are the key properties of [3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone?
[3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 342.45 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 97390192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).