N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]acetamide

C22H23N5O2 — CID 135916062

IUPACN-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc1C
InChIInChI=1S/C22H23N5O2/c1-14-10-16(8-9-17(14)11-23-15(2)28)22(29)27-13-18-12-24-26(3)21(18)25-19-6-4-5-7-20(19)27/h4-10,12,25H,11,13H2,1-3H3,(H,23,28)
InChIKeyYZEGLIPBNUNNGN-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.27
Rot. Bonds3

About N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]acetamide

N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]acetamide (PubChem CID 135916062) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]acetamide
PubChem CID135916062
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc1C
InChIInChI=1S/C22H23N5O2/c1-14-10-16(8-9-17(14)11-23-15(2)28)22(29)27-13-18-12-24-26(3)21(18)25-19-6-4-5-7-20(19)27/h4-10,12,25H,11,13H2,1-3H3,(H,23,28)
InChIKeyYZEGLIPBNUNNGN-UHFFFAOYSA-N
XLogP3.27
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]acetamide (CID 135916062) is N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc1C.
What is the InChIKey of N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]acetamide?
The InChIKey is YZEGLIPBNUNNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-10-16(8-9-17(14)11-23-15(2)28)22(29)27-13-18-12-24-26(3)21(18)25-19-6-4-5-7-20(19)27/h4-10,12,25H,11,13H2,1-3H3,(H,23,28).
What are the key properties of N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]acetamide?
N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 135916062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).