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

C28H34FN7O4 — CID 167500915

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

tert-butyl N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-(2-methoxyethyl)indazol-4-yl]pyrrolidin-3-yl]carbamate (PubChem CID 167500915) has the molecular formula C28H34FN7O4 and a molecular weight of 551.62 g/mol. Its IUPAC name is tert-butyl N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-(2-methoxyethyl)indazol-4-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-(2-methoxyethyl)indazol-4-yl]pyrrolidin-3-yl]carbamate
• PubChem CID: 167500915
• Molecular Formula: C28H34FN7O4
• Molecular Weight: 551.62 g/mol
• Exact Mass: 551.27
• IUPAC Name: tert-butyl N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-(2-methoxyethyl)indazol-4-yl]pyrrolidin-3-yl]carbamate
• SMILES: COCCn1cc2c(N3CCC(NC(=O)OC(C)(C)C)C3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1
• InChI: InChI=1S/C28H34FN7O4/c1-17-13-35-15-19(12-22(29)25(35)30-17)31-26(37)20-6-7-23(21-16-36(10-11-39-5)33-24(20)21)34-9-8-18(14-34)32-27(38)40-28(2,3)4/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,31,37)(H,32,38)
• InChIKey: YNIPFCDESAOPIP-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 115.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.62
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-(2-methoxyethyl)indazol-4-yl]pyrrolidin-3-yl]carbamate (CID 167500915) is tert-butyl N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-(2-methoxyethyl)indazol-4-yl]pyrrolidin-3-yl]carbamate.

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

The canonical SMILES for tert-butyl N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-(2-methoxyethyl)indazol-4-yl]pyrrolidin-3-yl]carbamate is COCCn1cc2c(N3CCC(NC(=O)OC(C)(C)C)C3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1.

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

The InChIKey is YNIPFCDESAOPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN7O4/c1-17-13-35-15-19(12-22(29)25(35)30-17)31-26(37)20-6-7-23(21-16-36(10-11-39-5)33-24(20)21)34-9-8-18(14-34)32-27(38)40-28(2,3)4/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,31,37)(H,32,38).

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

tert-butyl N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-(2-methoxyethyl)indazol-4-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 551.62 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-(2-methoxyethyl)indazol-4-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 167500915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).