4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

C105H99F18N23O8 — CID 158402846

IUPAC4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cn[nH]c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(C3CC3)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2n1
InChIInChI=1S/2C22H20F4N4O.C22H22F3N5O2.C20H19F4N5O2.C19H18F3N5O2/c2*23-15-4-2-14(3-5-15)17-10-19(21(27)31)29-18-9-13(1-6-16(17)18)11-30-8-7-28-20(12-30)22(24,25)26;23-22(24,25)20-12-29(5-6-32-20)10-13-1-4-16-17(8-19(21(26)31)28-18(16)7-13)14-9-27-30(11-14)15-2-3-15;21-11-29-9-13(7-26-29)15-6-17(19(25)30)27-16-5-12(1-2-14(15)16)8-28-3-4-31-18(10-28)20(22,23)24;20-19(21,22)17-10-27(3-4-29-17)9-11-1-2-13-14(12-7-24-25-8-12)6-16(18(23)28)26-15(13)5-11/h2*1-6,9-10,20,28H,7-8,11-12H2,(H2,27,31);1,4,7-9,11,15,20H,2-3,5-6,10,12H2,(H2,26,31);1-2,5-7,9,18H,3-4,8,10-11H2,(H2,25,30);1-2,5-8,17H,3-4,9-10H2,(H2,23,28)(H,24,25)/t;;;18-;17-/m...11/s1
InChIKeyGYHVDQOAOUERAS-JDSDVXKMSA-N
MW2153.06 g/mol
LogP15.62
Rot. Bonds22

About 4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 158402846) has the molecular formula C105H99F18N23O8 and a molecular weight of 2153.06 g/mol. Its IUPAC name is 4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
PubChem CID158402846
Molecular FormulaC105H99F18N23O8
Molecular Weight2153.06 g/mol
Exact Mass2151.78
IUPAC Name4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cn[nH]c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(C3CC3)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2n1
InChIInChI=1S/2C22H20F4N4O.C22H22F3N5O2.C20H19F4N5O2.C19H18F3N5O2/c2*23-15-4-2-14(3-5-15)17-10-19(21(27)31)29-18-9-13(1-6-16(17)18)11-30-8-7-28-20(12-30)22(24,25)26;23-22(24,25)20-12-29(5-6-32-20)10-13-1-4-16-17(8-19(21(26)31)28-18(16)7-13)14-9-27-30(11-14)15-2-3-15;21-11-29-9-13(7-26-29)15-6-17(19(25)30)27-16-5-12(1-2-14(15)16)8-28-3-4-31-18(10-28)20(22,23)24;20-19(21,22)17-10-27(3-4-29-17)9-11-1-2-13-14(12-7-24-25-8-12)6-16(18(23)28)26-15(13)5-11/h2*1-6,9-10,20,28H,7-8,11-12H2,(H2,27,31);1,4,7-9,11,15,20H,2-3,5-6,10,12H2,(H2,26,31);1-2,5-7,9,18H,3-4,8,10-11H2,(H2,25,30);1-2,5-8,17H,3-4,9-10H2,(H2,23,28)(H,24,25)/t;;;18-;17-/m...11/s1
InChIKeyGYHVDQOAOUERAS-JDSDVXKMSA-N
XLogP15.62
TPSA412.17 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002153.06
LogP ≤ 515.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide with MolForge

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Related Compounds

7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide
CID 89554791
4-(1-Cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554839
4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554842
4-(1H-pyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554830
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67158164
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67159075
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67159179
7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide
CID 123953220
4-(2-methyl-1H-pyrazol-2-ium-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 148973379
7-[(3,3-Difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]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-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 157085775
7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;1-[7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone
CID 157273223
1-[4-[9-(4-aminophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 157282571

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (CID 158402846) is 4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cn[nH]c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(C3CC3)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2n1.
What is the InChIKey of 4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The InChIKey is GYHVDQOAOUERAS-JDSDVXKMSA-N. The full InChI is InChI=1S/2C22H20F4N4O.C22H22F3N5O2.C20H19F4N5O2.C19H18F3N5O2/c2*23-15-4-2-14(3-5-15)17-10-19(21(27)31)29-18-9-13(1-6-16(17)18)11-30-8-7-28-20(12-30)22(24,25)26;23-22(24,25)20-12-29(5-6-32-20)10-13-1-4-16-17(8-19(21(26)31)28-18(16)7-13)14-9-27-30(11-14)15-2-3-15;21-11-29-9-13(7-26-29)15-6-17(19(25)30)27-16-5-12(1-2-14(15)16)8-28-3-4-31-18(10-28)20(22,23)24;20-19(21,22)17-10-27(3-4-29-17)9-11-1-2-13-14(12-7-24-25-8-12)6-16(18(23)28)26-15(13)5-11/h2*1-6,9-10,20,28H,7-8,11-12H2,(H2,27,31);1,4,7-9,11,15,20H,2-3,5-6,10,12H2,(H2,26,31);1-2,5-7,9,18H,3-4,8,10-11H2,(H2,25,30);1-2,5-8,17H,3-4,9-10H2,(H2,23,28)(H,24,25)/t;;;18-;17-/m...11/s1.
What are the key properties of 4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 2153.06 g/mol, XLogP of 15.62, 22 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 158402846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).