[4-amino-2-[[1-[[6-[(5-methyl-5-azaspiro[2.5]octan-2-yl)oxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone

C28H32F2N6O4S2 — CID 142935071

About [4-amino-2-[[1-[[6-[(5-methyl-5-azaspiro[2.5]octan-2-yl)oxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone

[4-amino-2-[[1-[[6-[(5-methyl-5-azaspiro[2.5]octan-2-yl)oxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone (PubChem CID 142935071) has the molecular formula C28H32F2N6O4S2 and a molecular weight of 618.73 g/mol. Its IUPAC name is [4-amino-2-[[1-[[6-[(5-methyl-5-azaspiro[2.5]octan-2-yl)oxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

• Compound Name: [4-amino-2-[[1-[[6-[(5-methyl-5-azaspiro[2.5]octan-2-yl)oxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
• PubChem CID: 142935071
• Molecular Formula: C28H32F2N6O4S2
• Molecular Weight: 618.73 g/mol
• Exact Mass: 618.19
• IUPAC Name: [4-amino-2-[[1-[[6-[(5-methyl-5-azaspiro[2.5]octan-2-yl)oxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
• SMILES: CN1CCCC2(CC2Oc2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)C1
• InChI: InChI=1S/C28H32F2N6O4S2/c1-35-11-3-10-28(16-35)14-21(28)40-22-7-6-18(15-32-22)42(38,39)36-12-8-17(9-13-36)33-27-34-26(31)25(41-27)24(37)23-19(29)4-2-5-20(23)30/h2,4-7,15,17,21H,3,8-14,16,31H2,1H3,(H,33,34)
• InChIKey: ZVTYBNZLDPXHPS-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 130.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	618.73
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[[1-[[6-[(5-methyl-5-azaspiro[2.5]octan-2-yl)oxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?

The IUPAC name of [4-amino-2-[[1-[[6-[(5-methyl-5-azaspiro[2.5]octan-2-yl)oxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone (CID 142935071) is [4-amino-2-[[1-[[6-[(5-methyl-5-azaspiro[2.5]octan-2-yl)oxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone.

What is the SMILES notation for [4-amino-2-[[1-[[6-[(5-methyl-5-azaspiro[2.5]octan-2-yl)oxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?

The canonical SMILES for [4-amino-2-[[1-[[6-[(5-methyl-5-azaspiro[2.5]octan-2-yl)oxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone is CN1CCCC2(CC2Oc2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)C1.

What is the InChIKey of [4-amino-2-[[1-[[6-[(5-methyl-5-azaspiro[2.5]octan-2-yl)oxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?

The InChIKey is ZVTYBNZLDPXHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N6O4S2/c1-35-11-3-10-28(16-35)14-21(28)40-22-7-6-18(15-32-22)42(38,39)36-12-8-17(9-13-36)33-27-34-26(31)25(41-27)24(37)23-19(29)4-2-5-20(23)30/h2,4-7,15,17,21H,3,8-14,16,31H2,1H3,(H,33,34).

What are the key properties of [4-amino-2-[[1-[[6-[(5-methyl-5-azaspiro[2.5]octan-2-yl)oxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?

[4-amino-2-[[1-[[6-[(5-methyl-5-azaspiro[2.5]octan-2-yl)oxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 618.73 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-2-[[1-[[6-[(5-methyl-5-azaspiro[2.5]octan-2-yl)oxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 142935071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).