tert-butyl 3-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]indazole-1-carboxylate

C29H26F2N4O4 — CID 158696585

About tert-butyl 3-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]indazole-1-carboxylate

tert-butyl 3-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]indazole-1-carboxylate (PubChem CID 158696585) has the molecular formula C29H26F2N4O4 and a molecular weight of 532.55 g/mol. Its IUPAC name is tert-butyl 3-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]indazole-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]indazole-1-carboxylate
• PubChem CID: 158696585
• Molecular Formula: C29H26F2N4O4
• Molecular Weight: 532.55 g/mol
• Exact Mass: 532.19
• IUPAC Name: tert-butyl 3-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]indazole-1-carboxylate
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cc1nn(C(=O)OC(C)(C)C)c2ccccc12
• InChI: InChI=1S/C29H26F2N4O4/c1-17-26(34-14-8-13-25(27(34)32-17)38-16-19-20(30)10-7-11-21(19)31)24(36)15-22-18-9-5-6-12-23(18)35(33-22)28(37)39-29(2,3)4/h5-14H,15-16H2,1-4H3
• InChIKey: CNYXBUNBIQYNQL-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 87.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.55
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]indazole-1-carboxylate?

The IUPAC name of tert-butyl 3-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]indazole-1-carboxylate (CID 158696585) is tert-butyl 3-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]indazole-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]indazole-1-carboxylate?

The canonical SMILES for tert-butyl 3-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]indazole-1-carboxylate is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cc1nn(C(=O)OC(C)(C)C)c2ccccc12.

What is the InChIKey of tert-butyl 3-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]indazole-1-carboxylate?

The InChIKey is CNYXBUNBIQYNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N4O4/c1-17-26(34-14-8-13-25(27(34)32-17)38-16-19-20(30)10-7-11-21(19)31)24(36)15-22-18-9-5-6-12-23(18)35(33-22)28(37)39-29(2,3)4/h5-14H,15-16H2,1-4H3.

What are the key properties of tert-butyl 3-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]indazole-1-carboxylate?

tert-butyl 3-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]indazole-1-carboxylate has a molecular weight of 532.55 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]indazole-1-carboxylate is sourced from PubChem (CID 158696585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).