7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one

C20H23N5O — CID 135526520

IUPAC7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCC(C)N1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]c5c4CCC5)nc3cc21
InChIInChI=1S/C20H23N5O/c1-10(2)25-16-9-15-14(8-12(16)20(3,4)19(25)26)21-18(22-15)17-11-6-5-7-13(11)23-24-17/h8-10H,5-7H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyZLRMIQVLDIBVGQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.47
Rot. Bonds2

About 7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one

7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 135526520) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID135526520
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCC(C)N1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]c5c4CCC5)nc3cc21
InChIInChI=1S/C20H23N5O/c1-10(2)25-16-9-15-14(8-12(16)20(3,4)19(25)26)21-18(22-15)17-11-6-5-7-13(11)23-24-17/h8-10H,5-7H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyZLRMIQVLDIBVGQ-UHFFFAOYSA-N
XLogP3.47
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 135526520) is 7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one is CC(C)N1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]c5c4CCC5)nc3cc21.
What is the InChIKey of 7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is ZLRMIQVLDIBVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-10(2)25-16-9-15-14(8-12(16)20(3,4)19(25)26)21-18(22-15)17-11-6-5-7-13(11)23-24-17/h8-10H,5-7H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 349.44 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 135526520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).