(5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone

C20H18FN5O — CID 95826223

About (5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone

(5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 95826223) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 95826223
• Molecular Formula: C20H18FN5O
• Molecular Weight: 363.40 g/mol
• Exact Mass: 363.15
• IUPAC Name: (5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
• SMILES: Cc1nc2cccnc2n1[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1
• InChI: InChI=1S/C20H18FN5O/c1-12-23-17-3-2-7-22-19(17)26(12)15-6-8-25(11-15)20(27)18-10-13-9-14(21)4-5-16(13)24-18/h2-5,7,9-10,15,24H,6,8,11H2,1H3/t15-/m1/s1
• InChIKey: KXQARTJORGGOOI-OAHLLOKOSA-N
• XLogP: 3.45
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.40
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of (5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (CID 95826223) is (5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for (5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is Cc1nc2cccnc2n1[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1.

What is the InChIKey of (5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?

The InChIKey is KXQARTJORGGOOI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-12-23-17-3-2-7-22-19(17)26(12)15-6-8-25(11-15)20(27)18-10-13-9-14(21)4-5-16(13)24-18/h2-5,7,9-10,15,24H,6,8,11H2,1H3/t15-/m1/s1.

What are the key properties of (5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?

(5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 363.40 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95826223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).