N-[3-(7-amino-10,10-difluoro-9-methyl-6-oxa-8-azaspiro[4.5]dec-7-en-9-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5-difluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5,9,9-tetrafluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide

C65H62F14N12O6 — CID 157366749

About N-[3-(7-amino-10,10-difluoro-9-methyl-6-oxa-8-azaspiro[4.5]dec-7-en-9-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5-difluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5,9,9-tetrafluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide

N-[3-(7-amino-10,10-difluoro-9-methyl-6-oxa-8-azaspiro[4.5]dec-7-en-9-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5-difluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5,9,9-tetrafluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide (PubChem CID 157366749) has the molecular formula C65H62F14N12O6 and a molecular weight of 1373.26 g/mol. Its IUPAC name is N-[3-(7-amino-10,10-difluoro-9-methyl-6-oxa-8-azaspiro[4.5]dec-7-en-9-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5-difluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5,9,9-tetrafluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(7-amino-10,10-difluoro-9-methyl-6-oxa-8-azaspiro[4.5]dec-7-en-9-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5-difluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5,9,9-tetrafluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
• PubChem CID: 157366749
• Molecular Formula: C65H62F14N12O6
• Molecular Weight: 1373.26 g/mol
• Exact Mass: 1372.47
• IUPAC Name: N-[3-(7-amino-10,10-difluoro-9-methyl-6-oxa-8-azaspiro[4.5]dec-7-en-9-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5-difluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5,9,9-tetrafluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
• SMILES: CC1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)N=C(N)OC2(CCC(F)(F)CC2)C1(F)F.CC1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)N=C(N)OC2(CCCC2)C1(F)F.CC1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)N=C(N)OC2(CCCCC2)C1(F)F
• InChI: InChI=1S/C22H20F6N4O2.C22H22F4N4O2.C21H20F4N4O2/c1-19(22(27,28)20(34-18(29)32-19)6-8-21(25,26)9-7-20)14-10-13(3-4-15(14)24)31-17(33)16-5-2-12(23)11-30-16;1-20(22(25,26)21(32-19(27)30-20)9-3-2-4-10-21)15-11-14(6-7-16(15)24)29-18(31)17-8-5-13(23)12-28-17;1-19(21(24,25)20(8-2-3-9-20)31-18(26)29-19)14-10-13(5-6-15(14)23)28-17(30)16-7-4-12(22)11-27-16/h2-5,10-11H,6-9H2,1H3,(H2,29,32)(H,31,33);5-8,11-12H,2-4,9-10H2,1H3,(H2,27,30)(H,29,31);4-7,10-11H,2-3,8-9H2,1H3,(H2,26,29)(H,28,30)
• InChIKey: BJGVCVUDHKIHFK-UHFFFAOYSA-N
• XLogP: 13.39
• TPSA: 268.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1373.26
LogP ≤ 5	13.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-amino-10,10-difluoro-9-methyl-6-oxa-8-azaspiro[4.5]dec-7-en-9-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5-difluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5,9,9-tetrafluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?

The IUPAC name of N-[3-(7-amino-10,10-difluoro-9-methyl-6-oxa-8-azaspiro[4.5]dec-7-en-9-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5-difluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5,9,9-tetrafluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide (CID 157366749) is N-[3-(7-amino-10,10-difluoro-9-methyl-6-oxa-8-azaspiro[4.5]dec-7-en-9-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5-difluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5,9,9-tetrafluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide.

What is the SMILES notation for N-[3-(7-amino-10,10-difluoro-9-methyl-6-oxa-8-azaspiro[4.5]dec-7-en-9-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5-difluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5,9,9-tetrafluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?

The canonical SMILES for N-[3-(7-amino-10,10-difluoro-9-methyl-6-oxa-8-azaspiro[4.5]dec-7-en-9-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5-difluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5,9,9-tetrafluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide is CC1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)N=C(N)OC2(CCC(F)(F)CC2)C1(F)F.CC1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)N=C(N)OC2(CCCC2)C1(F)F.CC1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)N=C(N)OC2(CCCCC2)C1(F)F.

What is the InChIKey of N-[3-(7-amino-10,10-difluoro-9-methyl-6-oxa-8-azaspiro[4.5]dec-7-en-9-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5-difluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5,9,9-tetrafluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?

The InChIKey is BJGVCVUDHKIHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N4O2.C22H22F4N4O2.C21H20F4N4O2/c1-19(22(27,28)20(34-18(29)32-19)6-8-21(25,26)9-7-20)14-10-13(3-4-15(14)24)31-17(33)16-5-2-12(23)11-30-16;1-20(22(25,26)21(32-19(27)30-20)9-3-2-4-10-21)15-11-14(6-7-16(15)24)29-18(31)17-8-5-13(23)12-28-17;1-19(21(24,25)20(8-2-3-9-20)31-18(26)29-19)14-10-13(5-6-15(14)23)28-17(30)16-7-4-12(22)11-27-16/h2-5,10-11H,6-9H2,1H3,(H2,29,32)(H,31,33);5-8,11-12H,2-4,9-10H2,1H3,(H2,27,30)(H,29,31);4-7,10-11H,2-3,8-9H2,1H3,(H2,26,29)(H,28,30).

What are the key properties of N-[3-(7-amino-10,10-difluoro-9-methyl-6-oxa-8-azaspiro[4.5]dec-7-en-9-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5-difluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5,9,9-tetrafluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?

N-[3-(7-amino-10,10-difluoro-9-methyl-6-oxa-8-azaspiro[4.5]dec-7-en-9-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5-difluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5,9,9-tetrafluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 1373.26 g/mol, XLogP of 13.39, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(7-amino-10,10-difluoro-9-methyl-6-oxa-8-azaspiro[4.5]dec-7-en-9-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5-difluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-(2-amino-5,5,9,9-tetrafluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 157366749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).