7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one

C24H32N6O2 — CID 135540947

IUPAC7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCCc1cc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4CCCN2CCOCC2)n[nH]1
InChIInChI=1S/C24H32N6O2/c1-4-6-16-13-20(28-27-16)22-25-18-14-17-21(15-19(18)26-22)30(23(31)24(17,2)3)8-5-7-29-9-11-32-12-10-29/h13-15H,4-12H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyNYZNBIOJDVWXMY-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.25
Rot. Bonds7

About 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one

7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 135540947) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID135540947
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCCc1cc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4CCCN2CCOCC2)n[nH]1
InChIInChI=1S/C24H32N6O2/c1-4-6-16-13-20(28-27-16)22-25-18-14-17-21(15-19(18)26-22)30(23(31)24(17,2)3)8-5-7-29-9-11-32-12-10-29/h13-15H,4-12H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyNYZNBIOJDVWXMY-UHFFFAOYSA-N
XLogP3.25
TPSA90.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 135540947) is 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one is CCCc1cc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4CCCN2CCOCC2)n[nH]1.
What is the InChIKey of 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is NYZNBIOJDVWXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-4-6-16-13-20(28-27-16)22-25-18-14-17-21(15-19(18)26-22)30(23(31)24(17,2)3)8-5-7-29-9-11-32-12-10-29/h13-15H,4-12H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 436.56 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 135540947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).