4-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

C26H29ClN4O2 — CID 86567569

IUPAC4-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCc1cc(N2C(=O)c3nc(C4CCCC4)n(C(C)C)c3C2c2ccc(Cl)cc2)cn(C)c1=O
InChIInChI=1S/C26H29ClN4O2/c1-15(2)30-23-21(28-24(30)18-7-5-6-8-18)26(33)31(20-13-16(3)25(32)29(4)14-20)22(23)17-9-11-19(27)12-10-17/h9-15,18,22H,5-8H2,1-4H3
InChIKeyNJQDQDHZAAGIQX-UHFFFAOYSA-N
MW465.00 g/mol
LogP5.53
Rot. Bonds4

About 4-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

4-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (PubChem CID 86567569) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
PubChem CID86567569
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC Name4-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCc1cc(N2C(=O)c3nc(C4CCCC4)n(C(C)C)c3C2c2ccc(Cl)cc2)cn(C)c1=O
InChIInChI=1S/C26H29ClN4O2/c1-15(2)30-23-21(28-24(30)18-7-5-6-8-18)26(33)31(20-13-16(3)25(32)29(4)14-20)22(23)17-9-11-19(27)12-10-17/h9-15,18,22H,5-8H2,1-4H3
InChIKeyNJQDQDHZAAGIQX-UHFFFAOYSA-N
XLogP5.53
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.00
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (CID 86567569) is 4-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is Cc1cc(N2C(=O)c3nc(C4CCCC4)n(C(C)C)c3C2c2ccc(Cl)cc2)cn(C)c1=O.
What is the InChIKey of 4-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The InChIKey is NJQDQDHZAAGIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-15(2)30-23-21(28-24(30)18-7-5-6-8-18)26(33)31(20-13-16(3)25(32)29(4)14-20)22(23)17-9-11-19(27)12-10-17/h9-15,18,22H,5-8H2,1-4H3.
What are the key properties of 4-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
4-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one has a molecular weight of 465.00 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is sourced from PubChem (CID 86567569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).