5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one

C136H110F13N21O15 — CID 163832258

IUPAC5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one
SMILESCOCn1nc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ccn2c1=O.O=C(O)c1ncc(-c2cccc3cc(C(=O)N4CCC(F)(F)CC4)ccc23)cc1F.O=C(O)c1ncc(-c2cccc3cc(C(=O)N4CCC(F)(F)CC4)ccc23)cn1.O=C(c1ccc2c(-c3cnc4c(=O)[nH]cnc4c3)cccc2c1)N1CCC(F)(F)CC1.O=C(c1cnc2c(-c3ccc4c(=O)[nH]ncc4c3)cccc2c1)N1CCC(F)(F)CC1.O=C(c1cnc2c(-c3cnc4c(=O)[nH]ccc4c3)cccc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C24H22F2N4O3.3C23H18F2N4O2.C22H17F3N2O3.C21H17F2N3O3/c1-33-15-30-23(32)29-10-7-17(14-21(29)27-30)19-4-2-3-16-13-18(5-6-20(16)19)22(31)28-11-8-24(25,26)9-12-28;24-23(25)5-8-29(9-6-23)22(31)17-11-14-2-1-3-18(19(14)27-13-17)16-10-15-4-7-26-21(30)20(15)28-12-16;24-23(25)6-8-29(9-7-23)22(31)17-11-15-2-1-3-18(20(15)26-12-17)14-4-5-19-16(10-14)13-27-28-21(19)30;24-23(25)6-8-29(9-7-23)22(31)15-4-5-18-14(10-15)2-1-3-17(18)16-11-19-20(26-12-16)21(30)28-13-27-19;23-18-11-15(12-26-19(18)21(29)30)16-3-1-2-13-10-14(4-5-17(13)16)20(28)27-8-6-22(24,25)7-9-27;22-21(23)6-8-26(9-7-21)19(27)14-4-5-17-13(10-14)2-1-3-16(17)15-11-24-18(20(28)29)25-12-15/h2-7,10,13-14H,8-9,11-12,15H2,1H3;1-4,7,10-13H,5-6,8-9H2,(H,26,30);1-5,10-13H,6-9H2,(H,28,30);1-5,10-13H,6-9H2,(H,27,28,30);1-5,10-12H,6-9H2,(H,29,30);1-5,10-12H,6-9H2,(H,28,29)
InChIKeyOEQIDRMWOIKTLK-UHFFFAOYSA-N
MW2525.48 g/mol
LogP24.30
Rot. Bonds16

About 5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one

5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one (PubChem CID 163832258) has the molecular formula C136H110F13N21O15 and a molecular weight of 2525.48 g/mol. Its IUPAC name is 5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one
PubChem CID163832258
Molecular FormulaC136H110F13N21O15
Molecular Weight2525.48 g/mol
Exact Mass2523.83
IUPAC Name5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one
SMILESCOCn1nc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ccn2c1=O.O=C(O)c1ncc(-c2cccc3cc(C(=O)N4CCC(F)(F)CC4)ccc23)cc1F.O=C(O)c1ncc(-c2cccc3cc(C(=O)N4CCC(F)(F)CC4)ccc23)cn1.O=C(c1ccc2c(-c3cnc4c(=O)[nH]cnc4c3)cccc2c1)N1CCC(F)(F)CC1.O=C(c1cnc2c(-c3ccc4c(=O)[nH]ncc4c3)cccc2c1)N1CCC(F)(F)CC1.O=C(c1cnc2c(-c3cnc4c(=O)[nH]ccc4c3)cccc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C24H22F2N4O3.3C23H18F2N4O2.C22H17F3N2O3.C21H17F2N3O3/c1-33-15-30-23(32)29-10-7-17(14-21(29)27-30)19-4-2-3-16-13-18(5-6-20(16)19)22(31)28-11-8-24(25,26)9-12-28;24-23(25)5-8-29(9-6-23)22(31)17-11-14-2-1-3-18(19(14)27-13-17)16-10-15-4-7-26-21(30)20(15)28-12-16;24-23(25)6-8-29(9-7-23)22(31)17-11-15-2-1-3-18(20(15)26-12-17)14-4-5-19-16(10-14)13-27-28-21(19)30;24-23(25)6-8-29(9-7-23)22(31)15-4-5-18-14(10-15)2-1-3-17(18)16-11-19-20(26-12-16)21(30)28-13-27-19;23-18-11-15(12-26-19(18)21(29)30)16-3-1-2-13-10-14(4-5-17(13)16)20(28)27-8-6-22(24,25)7-9-27;22-21(23)6-8-26(9-7-21)19(27)14-4-5-17-13(10-14)2-1-3-16(17)15-11-24-18(20(28)29)25-12-15/h2-7,10,13-14H,8-9,11-12,15H2,1H3;1-4,7,10-13H,5-6,8-9H2,(H,26,30);1-5,10-13H,6-9H2,(H,28,30);1-5,10-13H,6-9H2,(H,27,28,30);1-5,10-12H,6-9H2,(H,29,30);1-5,10-12H,6-9H2,(H,28,29)
InChIKeyOEQIDRMWOIKTLK-UHFFFAOYSA-N
XLogP24.30
TPSA459.58 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002525.48
LogP ≤ 524.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one?
The IUPAC name of 5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one (CID 163832258) is 5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one.
What is the SMILES notation for 5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one?
The canonical SMILES for 5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one is COCn1nc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ccn2c1=O.O=C(O)c1ncc(-c2cccc3cc(C(=O)N4CCC(F)(F)CC4)ccc23)cc1F.O=C(O)c1ncc(-c2cccc3cc(C(=O)N4CCC(F)(F)CC4)ccc23)cn1.O=C(c1ccc2c(-c3cnc4c(=O)[nH]cnc4c3)cccc2c1)N1CCC(F)(F)CC1.O=C(c1cnc2c(-c3ccc4c(=O)[nH]ncc4c3)cccc2c1)N1CCC(F)(F)CC1.O=C(c1cnc2c(-c3cnc4c(=O)[nH]ccc4c3)cccc2c1)N1CCC(F)(F)CC1.
What is the InChIKey of 5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one?
The InChIKey is OEQIDRMWOIKTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O3.3C23H18F2N4O2.C22H17F3N2O3.C21H17F2N3O3/c1-33-15-30-23(32)29-10-7-17(14-21(29)27-30)19-4-2-3-16-13-18(5-6-20(16)19)22(31)28-11-8-24(25,26)9-12-28;24-23(25)5-8-29(9-6-23)22(31)17-11-14-2-1-3-18(19(14)27-13-17)16-10-15-4-7-26-21(30)20(15)28-12-16;24-23(25)6-8-29(9-7-23)22(31)17-11-15-2-1-3-18(20(15)26-12-17)14-4-5-19-16(10-14)13-27-28-21(19)30;24-23(25)6-8-29(9-7-23)22(31)15-4-5-18-14(10-15)2-1-3-17(18)16-11-19-20(26-12-16)21(30)28-13-27-19;23-18-11-15(12-26-19(18)21(29)30)16-3-1-2-13-10-14(4-5-17(13)16)20(28)27-8-6-22(24,25)7-9-27;22-21(23)6-8-26(9-7-21)19(27)14-4-5-17-13(10-14)2-1-3-16(17)15-11-24-18(20(28)29)25-12-15/h2-7,10,13-14H,8-9,11-12,15H2,1H3;1-4,7,10-13H,5-6,8-9H2,(H,26,30);1-5,10-13H,6-9H2,(H,28,30);1-5,10-13H,6-9H2,(H,27,28,30);1-5,10-12H,6-9H2,(H,29,30);1-5,10-12H,6-9H2,(H,28,29).
What are the key properties of 5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one?
5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one has a molecular weight of 2525.48 g/mol, XLogP of 24.30, 16 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-pyrido[3,2-d]pyrimidin-4-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrimidine-2-carboxylic acid;3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one;6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2H-phthalazin-1-one is sourced from PubChem (CID 163832258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).