N-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide

C21H30N4O2S — CID 72922009

IUPACN-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cc2n(n1)CCCN(Cc1ccc(C3CCCC3)s1)C2
InChIInChI=1S/C21H30N4O2S/c1-27-15-21(26)22-12-17-11-18-13-24(9-4-10-25(18)23-17)14-19-7-8-20(28-19)16-5-2-3-6-16/h7-8,11,16H,2-6,9-10,12-15H2,1H3,(H,22,26)
InChIKeyLAIMOIIBSMFVCL-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.27
Rot. Bonds7

About N-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide

N-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide (PubChem CID 72922009) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
PubChem CID72922009
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC NameN-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cc2n(n1)CCCN(Cc1ccc(C3CCCC3)s1)C2
InChIInChI=1S/C21H30N4O2S/c1-27-15-21(26)22-12-17-11-18-13-24(9-4-10-25(18)23-17)14-19-7-8-20(28-19)16-5-2-3-6-16/h7-8,11,16H,2-6,9-10,12-15H2,1H3,(H,22,26)
InChIKeyLAIMOIIBSMFVCL-UHFFFAOYSA-N
XLogP3.27
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide with MolForge

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Related Compounds

N-[[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
CID 70731439
N-[[5-[(5-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 70704905
2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 118770602
2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 118792176
2-(4-methoxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide
CID 70733345
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-phenoxyacetamide
CID 72861549
2-methoxy-N-[[5-[(3R)-1-phenylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 126440471
N-[[5-[(4-ethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 72842327
1,1-dimethyl-3-[[5-[(5-propylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]urea
CID 70720932
2-(azocan-1-yl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide
CID 70759919
2-[[2-[(cyclobutanecarbonylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]benzoic acid
CID 72894124
N-[[5-[(2-fluoro-5-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 70717656

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide (CID 72922009) is N-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NCc1cc2n(n1)CCCN(Cc1ccc(C3CCCC3)s1)C2.
What is the InChIKey of N-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is LAIMOIIBSMFVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-27-15-21(26)22-12-17-11-18-13-24(9-4-10-25(18)23-17)14-19-7-8-20(28-19)16-5-2-3-6-16/h7-8,11,16H,2-6,9-10,12-15H2,1H3,(H,22,26).
What are the key properties of N-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
N-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 402.56 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-cyclopentylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 72922009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).