tert-butyl 4-[6-fluoro-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate

C27H30F2N6O3 — CID 175593444

About tert-butyl 4-[6-fluoro-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate

tert-butyl 4-[6-fluoro-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate (PubChem CID 175593444) has the molecular formula C27H30F2N6O3 and a molecular weight of 524.57 g/mol. Its IUPAC name is tert-butyl 4-[6-fluoro-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[6-fluoro-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate
• PubChem CID: 175593444
• Molecular Formula: C27H30F2N6O3
• Molecular Weight: 524.57 g/mol
• Exact Mass: 524.23
• IUPAC Name: tert-butyl 4-[6-fluoro-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate
• SMILES: Cc1cn2cc(NC(=O)c3c(F)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c4cc(C)[nH]c34)cc(F)c2n1
• InChI: InChI=1S/C27H30F2N6O3/c1-15-10-18-21(33-6-8-34(9-7-33)26(37)38-27(3,4)5)12-19(28)22(23(18)30-15)25(36)32-17-11-20(29)24-31-16(2)13-35(24)14-17/h10-14,30H,6-9H2,1-5H3,(H,32,36)
• InChIKey: VCPAIXHDTLJSHN-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 94.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.57
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of tert-butyl 4-[6-fluoro-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate (CID 175593444) is tert-butyl 4-[6-fluoro-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate.

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

The canonical SMILES for tert-butyl 4-[6-fluoro-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate is Cc1cn2cc(NC(=O)c3c(F)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c4cc(C)[nH]c34)cc(F)c2n1.

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

The InChIKey is VCPAIXHDTLJSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N6O3/c1-15-10-18-21(33-6-8-34(9-7-33)26(37)38-27(3,4)5)12-19(28)22(23(18)30-15)25(36)32-17-11-20(29)24-31-16(2)13-35(24)14-17/h10-14,30H,6-9H2,1-5H3,(H,32,36).

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

tert-butyl 4-[6-fluoro-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate has a molecular weight of 524.57 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[6-fluoro-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 175593444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).