1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide

C27H28F2N6O2 — CID 169077749

About 1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide

1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 169077749) has the molecular formula C27H28F2N6O2 and a molecular weight of 506.56 g/mol. Its IUPAC name is 1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide
• PubChem CID: 169077749
• Molecular Formula: C27H28F2N6O2
• Molecular Weight: 506.56 g/mol
• Exact Mass: 506.22
• IUPAC Name: 1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide
• SMILES: Cc1cc(F)c(NC(=O)c2cnn(C(C)(C)C)c2F)cc1-c1cc(N2CC3(COC3)C2)c2nccn2c1
• InChI: InChI=1S/C27H28F2N6O2/c1-16-7-20(28)21(32-25(36)19-10-31-35(23(19)29)26(2,3)4)9-18(16)17-8-22(24-30-5-6-33(24)11-17)34-12-27(13-34)14-37-15-27/h5-11H,12-15H2,1-4H3,(H,32,36)
• InChIKey: BPJZYBKSEHPNIT-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 76.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.56
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide?

The IUPAC name of 1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide (CID 169077749) is 1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide?

The canonical SMILES for 1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide is Cc1cc(F)c(NC(=O)c2cnn(C(C)(C)C)c2F)cc1-c1cc(N2CC3(COC3)C2)c2nccn2c1.

What is the InChIKey of 1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide?

The InChIKey is BPJZYBKSEHPNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6O2/c1-16-7-20(28)21(32-25(36)19-10-31-35(23(19)29)26(2,3)4)9-18(16)17-8-22(24-30-5-6-33(24)11-17)34-12-27(13-34)14-37-15-27/h5-11H,12-15H2,1-4H3,(H,32,36).

What are the key properties of 1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide?

1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 506.56 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 169077749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).