2-methoxy-N-[[5-[(2-methylsulfanylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide

C19H26N4O2S — CID 70731562

IUPAC2-methoxy-N-[[5-[(2-methylsulfanylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide
SMILESCOCC(=O)NCc1cc2n(n1)CCCN(Cc1ccccc1SC)C2
InChIInChI=1S/C19H26N4O2S/c1-25-14-19(24)20-11-16-10-17-13-22(8-5-9-23(17)21-16)12-15-6-3-4-7-18(15)26-2/h3-4,6-7,10H,5,8-9,11-14H2,1-2H3,(H,20,24)
InChIKeyDYDFBADWJPNVRO-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.27
Rot. Bonds7

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

2-methoxy-N-[[5-[(2-methylsulfanylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide (PubChem CID 70731562) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-methoxy-N-[[5-[(2-methylsulfanylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[5-[(2-methylsulfanylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide
PubChem CID70731562
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-methoxy-N-[[5-[(2-methylsulfanylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide
SMILESCOCC(=O)NCc1cc2n(n1)CCCN(Cc1ccccc1SC)C2
InChIInChI=1S/C19H26N4O2S/c1-25-14-19(24)20-11-16-10-17-13-22(8-5-9-23(17)21-16)12-15-6-3-4-7-18(15)26-2/h3-4,6-7,10H,5,8-9,11-14H2,1-2H3,(H,20,24)
InChIKeyDYDFBADWJPNVRO-UHFFFAOYSA-N
XLogP2.27
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

CID 70712994
CID 70712994
CID 70765753
CID 70765753
CID 70786154
CID 70786154
CID 72879844
CID 72879844
CID 53014798
CID 53014798
CID 53014800
CID 53014800
CID 53014801
CID 53014801
CID 70719633
CID 70719633
CID 70720516
CID 70720516
CID 70750311
CID 70750311
CID 70766409
CID 70766409
CID 70768000
CID 70768000

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-[(2-methylsulfanylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[5-[(2-methylsulfanylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide (CID 70731562) is 2-methoxy-N-[[5-[(2-methylsulfanylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[5-[(2-methylsulfanylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[5-[(2-methylsulfanylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide is COCC(=O)NCc1cc2n(n1)CCCN(Cc1ccccc1SC)C2.
What is the InChIKey of 2-methoxy-N-[[5-[(2-methylsulfanylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide?
The InChIKey is DYDFBADWJPNVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-25-14-19(24)20-11-16-10-17-13-22(8-5-9-23(17)21-16)12-15-6-3-4-7-18(15)26-2/h3-4,6-7,10H,5,8-9,11-14H2,1-2H3,(H,20,24).
What are the key properties of 2-methoxy-N-[[5-[(2-methylsulfanylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide?
2-methoxy-N-[[5-[(2-methylsulfanylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-[(2-methylsulfanylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide is sourced from PubChem (CID 70731562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).