3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide

C17H18N6O2 — CID 173150035

IUPAC3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4ccn(C(N)=O)n4)nc3cc21
InChIInChI=1S/C17H18N6O2/c1-4-22-13-8-12-11(7-9(13)17(2,3)15(22)24)19-14(20-12)10-5-6-23(21-10)16(18)25/h5-8H,4H2,1-3H3,(H2,18,25)(H,19,20)
InChIKeyWMWXTXJQUQDCEF-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.00
Rot. Bonds2

About 3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide

3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide (PubChem CID 173150035) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide
PubChem CID173150035
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4ccn(C(N)=O)n4)nc3cc21
InChIInChI=1S/C17H18N6O2/c1-4-22-13-8-12-11(7-9(13)17(2,3)15(22)24)19-14(20-12)10-5-6-23(21-10)16(18)25/h5-8H,4H2,1-3H3,(H2,18,25)(H,19,20)
InChIKeyWMWXTXJQUQDCEF-UHFFFAOYSA-N
XLogP2.00
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide?
The IUPAC name of 3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide (CID 173150035) is 3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide?
The canonical SMILES for 3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide is CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4ccn(C(N)=O)n4)nc3cc21.
What is the InChIKey of 3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide?
The InChIKey is WMWXTXJQUQDCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-4-22-13-8-12-11(7-9(13)17(2,3)15(22)24)19-14(20-12)10-5-6-23(21-10)16(18)25/h5-8H,4H2,1-3H3,(H2,18,25)(H,19,20).
What are the key properties of 3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide?
3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 173150035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).