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

C29H34FN7O3 — CID 167501370

About tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-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-methylindazol-4-yl]pyrrolidin-3-yl]carbamate (PubChem CID 167501370) has the molecular formula C29H34FN7O3 and a molecular weight of 547.64 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-methylindazol-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-methylindazol-4-yl]pyrrolidin-3-yl]carbamate
• PubChem CID: 167501370
• Molecular Formula: C29H34FN7O3
• Molecular Weight: 547.64 g/mol
• Exact Mass: 547.27
• IUPAC Name: tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]pyrrolidin-3-yl]carbamate
• SMILES: Cc1cn2cc(NC(=O)c3ccc(N4CCC(N(C(=O)OC(C)(C)C)C5CC5)C4)c4cn(C)nc34)cc(F)c2n1
• InChI: InChI=1S/C29H34FN7O3/c1-17-13-36-14-18(12-23(30)26(36)31-17)32-27(38)21-8-9-24(22-16-34(5)33-25(21)22)35-11-10-20(15-35)37(19-6-7-19)28(39)40-29(2,3)4/h8-9,12-14,16,19-20H,6-7,10-11,15H2,1-5H3,(H,32,38)
• InChIKey: PHBQHTYIRLEYBC-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 97.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.64
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-methylindazol-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-methylindazol-4-yl]pyrrolidin-3-yl]carbamate (CID 167501370) is tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-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-methylindazol-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-methylindazol-4-yl]pyrrolidin-3-yl]carbamate is Cc1cn2cc(NC(=O)c3ccc(N4CCC(N(C(=O)OC(C)(C)C)C5CC5)C4)c4cn(C)nc34)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-methylindazol-4-yl]pyrrolidin-3-yl]carbamate?

The InChIKey is PHBQHTYIRLEYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN7O3/c1-17-13-36-14-18(12-23(30)26(36)31-17)32-27(38)21-8-9-24(22-16-34(5)33-25(21)22)35-11-10-20(15-35)37(19-6-7-19)28(39)40-29(2,3)4/h8-9,12-14,16,19-20H,6-7,10-11,15H2,1-5H3,(H,32,38).

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-methylindazol-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-methylindazol-4-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 547.64 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-methylindazol-4-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 167501370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).