7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide

C102H108F11N25O5 — CID 160601647

IUPAC7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC(C(F)(F)F)CC4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC(F)(F)CC4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCCC(C(F)(F)F)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCCC(F)(F)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCCC(F)C4)ccc23)cn1
InChIInChI=1S/2C21H22F3N5O.2C20H21F2N5O.C20H22FN5O/c1-28-12-14(10-26-28)17-9-19(20(25)30)27-18-8-13(2-3-16(17)18)11-29-6-4-15(5-7-29)21(22,23)24;1-28-11-14(9-26-28)17-8-19(20(25)30)27-18-7-13(4-5-16(17)18)10-29-6-2-3-15(12-29)21(22,23)24;1-26-11-14(9-24-26)16-8-18(19(23)28)25-17-7-13(3-4-15(16)17)10-27-6-2-5-20(21,22)12-27;1-26-12-14(10-24-26)16-9-18(19(23)28)25-17-8-13(2-3-15(16)17)11-27-6-4-20(21,22)5-7-27;1-25-11-14(9-23-25)17-8-19(20(22)27)24-18-7-13(4-5-16(17)18)10-26-6-2-3-15(21)12-26/h2-3,8-10,12,15H,4-7,11H2,1H3,(H2,25,30);4-5,7-9,11,15H,2-3,6,10,12H2,1H3,(H2,25,30);3-4,7-9,11H,2,5-6,10,12H2,1H3,(H2,23,28);2-3,8-10,12H,4-7,11H2,1H3,(H2,23,28);4-5,7-9,11,15H,2-3,6,10,12H2,1H3,(H2,22,27)
InChIKeyREIVCYDNFAMIQJ-UHFFFAOYSA-N
MW1973.13 g/mol
LogP15.62
Rot. Bonds20

About 7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide

7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide (PubChem CID 160601647) has the molecular formula C102H108F11N25O5 and a molecular weight of 1973.13 g/mol. Its IUPAC name is 7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
PubChem CID160601647
Molecular FormulaC102H108F11N25O5
Molecular Weight1973.13 g/mol
Exact Mass1971.88
IUPAC Name7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC(C(F)(F)F)CC4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC(F)(F)CC4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCCC(C(F)(F)F)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCCC(F)(F)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCCC(F)C4)ccc23)cn1
InChIInChI=1S/2C21H22F3N5O.2C20H21F2N5O.C20H22FN5O/c1-28-12-14(10-26-28)17-9-19(20(25)30)27-18-8-13(2-3-16(17)18)11-29-6-4-15(5-7-29)21(22,23)24;1-28-11-14(9-26-28)17-8-19(20(25)30)27-18-7-13(4-5-16(17)18)10-29-6-2-3-15(12-29)21(22,23)24;1-26-11-14(9-24-26)16-8-18(19(23)28)25-17-7-13(3-4-15(16)17)10-27-6-2-5-20(21,22)12-27;1-26-12-14(10-24-26)16-9-18(19(23)28)25-17-8-13(2-3-15(16)17)11-27-6-4-20(21,22)5-7-27;1-25-11-14(9-23-25)17-8-19(20(22)27)24-18-7-13(4-5-16(17)18)10-26-6-2-3-15(21)12-26/h2-3,8-10,12,15H,4-7,11H2,1H3,(H2,25,30);4-5,7-9,11,15H,2-3,6,10,12H2,1H3,(H2,25,30);3-4,7-9,11H,2,5-6,10,12H2,1H3,(H2,23,28);2-3,8-10,12H,4-7,11H2,1H3,(H2,23,28);4-5,7-9,11,15H,2-3,6,10,12H2,1H3,(H2,22,27)
InChIKeyREIVCYDNFAMIQJ-UHFFFAOYSA-N
XLogP15.62
TPSA385.20 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001973.13
LogP ≤ 515.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide with MolForge

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Related Compounds

4-(1-Methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
CID 89554820
7-[(3,3-Difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 89554823
7-[(4,4-Difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 89554826
4-(1-Methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
CID 89554827
8-Fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
CID 89554871
4-(1-Methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)pyridin-2-yl]methyl]quinoline-2-carboxamide
CID 89554888
4-(1-Methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)pyridin-4-yl]methyl]quinoline-2-carboxamide
CID 89554893
4-(1-Methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)pyridin-3-yl]methyl]quinoline-2-carboxamide
CID 89554897
4-(1-Methylpyrazol-4-yl)-7-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]quinoline-2-carboxamide
CID 172462270
7-[[2-(Difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 123138405
7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane
CID 145025461
2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methyl-1-oxo-3H-isoindol-5-yl)-2-pyridinyl]ethyl]propanamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 157076869

Frequently Asked Questions

What is the IUPAC name of 7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide (CID 160601647) is 7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide is Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC(C(F)(F)F)CC4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC(F)(F)CC4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCCC(C(F)(F)F)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCCC(F)(F)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCCC(F)C4)ccc23)cn1.
What is the InChIKey of 7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide?
The InChIKey is REIVCYDNFAMIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22F3N5O.2C20H21F2N5O.C20H22FN5O/c1-28-12-14(10-26-28)17-9-19(20(25)30)27-18-8-13(2-3-16(17)18)11-29-6-4-15(5-7-29)21(22,23)24;1-28-11-14(9-26-28)17-8-19(20(25)30)27-18-7-13(4-5-16(17)18)10-29-6-2-3-15(12-29)21(22,23)24;1-26-11-14(9-24-26)16-8-18(19(23)28)25-17-7-13(3-4-15(16)17)10-27-6-2-5-20(21,22)12-27;1-26-12-14(10-24-26)16-9-18(19(23)28)25-17-8-13(2-3-15(16)17)11-27-6-4-20(21,22)5-7-27;1-25-11-14(9-23-25)17-8-19(20(22)27)24-18-7-13(4-5-16(17)18)10-26-6-2-3-15(21)12-26/h2-3,8-10,12,15H,4-7,11H2,1H3,(H2,25,30);4-5,7-9,11,15H,2-3,6,10,12H2,1H3,(H2,25,30);3-4,7-9,11H,2,5-6,10,12H2,1H3,(H2,23,28);2-3,8-10,12H,4-7,11H2,1H3,(H2,23,28);4-5,7-9,11,15H,2-3,6,10,12H2,1H3,(H2,22,27).
What are the key properties of 7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide?
7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide has a molecular weight of 1973.13 g/mol, XLogP of 15.62, 20 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,3-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 160601647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).