[8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C30H30FN5O — CID 146638106

About [8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

[8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 146638106) has the molecular formula C30H30FN5O and a molecular weight of 495.60 g/mol. Its IUPAC name is [8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

• Compound Name: [8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
• PubChem CID: 146638106
• Molecular Formula: C30H30FN5O
• Molecular Weight: 495.60 g/mol
• Exact Mass: 495.24
• IUPAC Name: [8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
• SMILES: CC1c2ccccc2CCN1C(=O)c1cc(C2CC2)c2nc(-c3ccc(N4CCCC4)nc3F)cn2c1
• InChI: InChI=1S/C30H30FN5O/c1-19-23-7-3-2-6-20(23)12-15-36(19)30(37)22-16-25(21-8-9-21)29-32-26(18-35(29)17-22)24-10-11-27(33-28(24)31)34-13-4-5-14-34/h2-3,6-7,10-11,16-19,21H,4-5,8-9,12-15H2,1H3
• InChIKey: GJAXUJMDKAFWIM-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 53.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.60
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?

The IUPAC name of [8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 146638106) is [8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

What is the SMILES notation for [8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?

The canonical SMILES for [8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is CC1c2ccccc2CCN1C(=O)c1cc(C2CC2)c2nc(-c3ccc(N4CCCC4)nc3F)cn2c1.

What is the InChIKey of [8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?

The InChIKey is GJAXUJMDKAFWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN5O/c1-19-23-7-3-2-6-20(23)12-15-36(19)30(37)22-16-25(21-8-9-21)29-32-26(18-35(29)17-22)24-10-11-27(33-28(24)31)34-13-4-5-14-34/h2-3,6-7,10-11,16-19,21H,4-5,8-9,12-15H2,1H3.

What are the key properties of [8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?

[8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 495.60 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 146638106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).