1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione

C27H25N5O3 — CID 165167305

IUPAC1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)c1cc(N2C(=O)CN(c3cncc(C4CC4)c3)C2=O)ccc1Oc1ccnc2[nH]ccc12
InChIInChI=1S/C27H25N5O3/c1-16(2)22-12-19(5-6-23(22)35-24-8-10-30-26-21(24)7-9-29-26)32-25(33)15-31(27(32)34)20-11-18(13-28-14-20)17-3-4-17/h5-14,16-17H,3-4,15H2,1-2H3,(H,29,30)
InChIKeyRZXLMKDWJMNNHT-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.72
Rot. Bonds6

About 1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione

1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione (PubChem CID 165167305) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione
PubChem CID165167305
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)c1cc(N2C(=O)CN(c3cncc(C4CC4)c3)C2=O)ccc1Oc1ccnc2[nH]ccc12
InChIInChI=1S/C27H25N5O3/c1-16(2)22-12-19(5-6-23(22)35-24-8-10-30-26-21(24)7-9-29-26)32-25(33)15-31(27(32)34)20-11-18(13-28-14-20)17-3-4-17/h5-14,16-17H,3-4,15H2,1-2H3,(H,29,30)
InChIKeyRZXLMKDWJMNNHT-UHFFFAOYSA-N
XLogP5.72
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione (CID 165167305) is 1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione is CC(C)c1cc(N2C(=O)CN(c3cncc(C4CC4)c3)C2=O)ccc1Oc1ccnc2[nH]ccc12.
What is the InChIKey of 1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is RZXLMKDWJMNNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-16(2)22-12-19(5-6-23(22)35-24-8-10-30-26-21(24)7-9-29-26)32-25(33)15-31(27(32)34)20-11-18(13-28-14-20)17-3-4-17/h5-14,16-17H,3-4,15H2,1-2H3,(H,29,30).
What are the key properties of 1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione?
1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 467.53 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-3-pyridinyl)-3-[3-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 165167305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).