N-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide

C18H25N5O2 — CID 118746698

IUPACN-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
SMILESCOCCNC(=O)C1CN(Cc2cccc(C)n2)Cc2ccnn2C1
InChIInChI=1S/C18H25N5O2/c1-14-4-3-5-16(21-14)12-22-10-15(18(24)19-8-9-25-2)11-23-17(13-22)6-7-20-23/h3-7,15H,8-13H2,1-2H3,(H,19,24)
InChIKeyNJXCZFVQNARNCB-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.98
Rot. Bonds6

About N-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide

N-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide (PubChem CID 118746698) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
PubChem CID118746698
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
SMILESCOCCNC(=O)C1CN(Cc2cccc(C)n2)Cc2ccnn2C1
InChIInChI=1S/C18H25N5O2/c1-14-4-3-5-16(21-14)12-22-10-15(18(24)19-8-9-25-2)11-23-17(13-22)6-7-20-23/h3-7,15H,8-13H2,1-2H3,(H,19,24)
InChIKeyNJXCZFVQNARNCB-UHFFFAOYSA-N
XLogP0.98
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5307455
US10071974, Example 33
CID 121346637
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 35335313
5-isopropyl-N-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50952632
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 53555369
2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 53559118
2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 53562907
1-[2-(Pyridin-3-YL)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-5-YL]ethan-1-one
CID 71686886
1-((1-cyclopentyl-5-(pyridin-4-yl)-1H-pyrazol-3-yl)methyl)-3-(2-methoxyethyl)urea
CID 71797598
N-(2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethyl)acetamide
CID 71807890
N-{2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]ethyl}cyclopropanecarboxamide
CID 71807891
N-(2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethyl)cyclobutanecarboxamide
CID 71807892

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide (CID 118746698) is N-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide is COCCNC(=O)C1CN(Cc2cccc(C)n2)Cc2ccnn2C1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The InChIKey is NJXCZFVQNARNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-4-3-5-16(21-14)12-22-10-15(18(24)19-8-9-25-2)11-23-17(13-22)6-7-20-23/h3-7,15H,8-13H2,1-2H3,(H,19,24).
What are the key properties of N-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
N-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide is sourced from PubChem (CID 118746698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).