N-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide

C14H22N6O2S — CID 97467162

IUPACN-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
SMILESCn1cc(CN2CCc3ncc(CNS(C)(=O)=O)n3CC2)cn1
InChIInChI=1S/C14H22N6O2S/c1-18-10-12(7-16-18)11-19-4-3-14-15-8-13(20(14)6-5-19)9-17-23(2,21)22/h7-8,10,17H,3-6,9,11H2,1-2H3
InChIKeySVSPVSRLCBSDIA-UHFFFAOYSA-N
MW338.44 g/mol
LogP-0.28
Rot. Bonds5

About N-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide

N-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide (PubChem CID 97467162) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
PubChem CID97467162
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC NameN-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
SMILESCn1cc(CN2CCc3ncc(CNS(C)(=O)=O)n3CC2)cn1
InChIInChI=1S/C14H22N6O2S/c1-18-10-12(7-16-18)11-19-4-3-14-15-8-13(20(14)6-5-19)9-17-23(2,21)22/h7-8,10,17H,3-6,9,11H2,1-2H3
InChIKeySVSPVSRLCBSDIA-UHFFFAOYSA-N
XLogP-0.28
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[[7-(furan-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 97467160
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
N-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 97390230
7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 71932890
methyl 3-[(1-methylpyrazol-4-yl)methyl]-7-oxo-9-propan-2-yloxy-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 126467400
2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 62127922
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 47373259
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 63665817
(2R)-2-amino-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 119902960
N-[[7-(thiophen-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]cyclobutanecarboxamide
CID 97467204
4-[(4-methylphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-5-one
CID 26336928

Frequently Asked Questions

What is the IUPAC name of N-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide (CID 97467162) is N-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide is Cn1cc(CN2CCc3ncc(CNS(C)(=O)=O)n3CC2)cn1.
What is the InChIKey of N-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
The InChIKey is SVSPVSRLCBSDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-18-10-12(7-16-18)11-19-4-3-14-15-8-13(20(14)6-5-19)9-17-23(2,21)22/h7-8,10,17H,3-6,9,11H2,1-2H3.
What are the key properties of N-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
N-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide has a molecular weight of 338.44 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97467162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).