N-(2-ethylpyrazol-3-yl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide

C19H21N5O2 — CID 22720721

IUPACN-(2-ethylpyrazol-3-yl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide
SMILESCCn1nccc1NC(=O)C(=O)c1c2n(c3ccccc13)CCNCC2
InChIInChI=1S/C19H21N5O2/c1-2-24-16(8-10-21-24)22-19(26)18(25)17-13-5-3-4-6-14(13)23-12-11-20-9-7-15(17)23/h3-6,8,10,20H,2,7,9,11-12H2,1H3,(H,22,26)
InChIKeyRKPRZSUZYSDTJO-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.82
Rot. Bonds4

About N-(2-ethylpyrazol-3-yl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide

N-(2-ethylpyrazol-3-yl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide (PubChem CID 22720721) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide
PubChem CID22720721
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(2-ethylpyrazol-3-yl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide
SMILESCCn1nccc1NC(=O)C(=O)c1c2n(c3ccccc13)CCNCC2
InChIInChI=1S/C19H21N5O2/c1-2-24-16(8-10-21-24)22-19(26)18(25)17-13-5-3-4-6-14(13)23-12-11-20-9-7-15(17)23/h3-6,8,10,20H,2,7,9,11-12H2,1H3,(H,22,26)
InChIKeyRKPRZSUZYSDTJO-UHFFFAOYSA-N
XLogP1.82
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide?
The IUPAC name of N-(2-ethylpyrazol-3-yl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide (CID 22720721) is N-(2-ethylpyrazol-3-yl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide is CCn1nccc1NC(=O)C(=O)c1c2n(c3ccccc13)CCNCC2.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide?
The InChIKey is RKPRZSUZYSDTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-24-16(8-10-21-24)22-19(26)18(25)17-13-5-3-4-6-14(13)23-12-11-20-9-7-15(17)23/h3-6,8,10,20H,2,7,9,11-12H2,1H3,(H,22,26).
What are the key properties of N-(2-ethylpyrazol-3-yl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide?
N-(2-ethylpyrazol-3-yl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide is sourced from PubChem (CID 22720721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).