tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]carbamate

C30H35FN6O3 — CID 175593413

About tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]carbamate

tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]carbamate (PubChem CID 175593413) has the molecular formula C30H35FN6O3 and a molecular weight of 546.65 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]carbamate
• PubChem CID: 175593413
• Molecular Formula: C30H35FN6O3
• Molecular Weight: 546.65 g/mol
• Exact Mass: 546.28
• IUPAC Name: tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]carbamate
• SMILES: Cc1cn2cc(NC(=O)c3ccc(N4CCC(N(C(=O)OC(C)(C)C)C5CC5)C4)c4cc(C)[nH]c34)cc(F)c2n1
• InChI: InChI=1S/C30H35FN6O3/c1-17-12-23-25(35-11-10-21(16-35)37(20-6-7-20)29(39)40-30(3,4)5)9-8-22(26(23)32-17)28(38)34-19-13-24(31)27-33-18(2)14-36(27)15-19/h8-9,12-15,20-21,32H,6-7,10-11,16H2,1-5H3,(H,34,38)
• InChIKey: RTSUATTWNDPGJI-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 94.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.65
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]carbamate?

The IUPAC name of tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]carbamate (CID 175593413) is tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]carbamate is Cc1cn2cc(NC(=O)c3ccc(N4CCC(N(C(=O)OC(C)(C)C)C5CC5)C4)c4cc(C)[nH]c34)cc(F)c2n1.

What is the InChIKey of tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]carbamate?

The InChIKey is RTSUATTWNDPGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O3/c1-17-12-23-25(35-11-10-21(16-35)37(20-6-7-20)29(39)40-30(3,4)5)9-8-22(26(23)32-17)28(38)34-19-13-24(31)27-33-18(2)14-36(27)15-19/h8-9,12-15,20-21,32H,6-7,10-11,16H2,1-5H3,(H,34,38).

What are the key properties of tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]carbamate?

tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 546.65 g/mol, XLogP of 5.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 175593413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).