2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

C25H20Cl2FN5O — CID 71680282

IUPAC2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCC(C)n1c(-c2ccnc(N)c2)nc2c1C(c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O
InChIInChI=1S/C25H20Cl2FN5O/c1-13(2)32-23-21(31-24(32)15-10-11-30-19(29)12-15)25(34)33(18-5-3-4-17(27)20(18)28)22(23)14-6-8-16(26)9-7-14/h3-13,22H,1-2H3,(H2,29,30)
InChIKeyNRQJFOUPSSTZJN-UHFFFAOYSA-N
MW496.37 g/mol
LogP6.30
Rot. Bonds4

About 2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (PubChem CID 71680282) has the molecular formula C25H20Cl2FN5O and a molecular weight of 496.37 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
PubChem CID71680282
Molecular FormulaC25H20Cl2FN5O
Molecular Weight496.37 g/mol
Exact Mass495.10
IUPAC Name2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCC(C)n1c(-c2ccnc(N)c2)nc2c1C(c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O
InChIInChI=1S/C25H20Cl2FN5O/c1-13(2)32-23-21(31-24(32)15-10-11-30-19(29)12-15)25(34)33(18-5-3-4-17(27)20(18)28)22(23)14-6-8-16(26)9-7-14/h3-13,22H,1-2H3,(H2,29,30)
InChIKeyNRQJFOUPSSTZJN-UHFFFAOYSA-N
XLogP6.30
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.37
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The IUPAC name of 2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (CID 71680282) is 2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is CC(C)n1c(-c2ccnc(N)c2)nc2c1C(c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The InChIKey is NRQJFOUPSSTZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2FN5O/c1-13(2)32-23-21(31-24(32)15-10-11-30-19(29)12-15)25(34)33(18-5-3-4-17(27)20(18)28)22(23)14-6-8-16(26)9-7-14/h3-13,22H,1-2H3,(H2,29,30).
What are the key properties of 2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one has a molecular weight of 496.37 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is sourced from PubChem (CID 71680282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).