N-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

C90H102F9N15O7 — CID 159008890

IUPACN-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCN(C)C[C@@H]2C)=CN1.C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cc(OC4CCOCC4)ncc3F)ccc2N2CCN(C)CC2)=CN1.C=C1C=C(C)C(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCN(C)CC2)=CN1
InChIInChI=1S/C31H35F4N5O2.C30H36FN5O2.C29H31F4N5O3/c1-20-14-26(31(33,34)35)25(17-36-20)30(41)37-28-16-23(5-7-29(28)40-9-8-38(3)18-21(40)2)24-15-22(4-6-27(24)32)19-39-10-12-42-13-11-39;1-21-16-22(2)32-19-26(21)30(37)33-28-18-24(5-7-29(28)36-10-8-34(3)9-11-36)25-17-23(4-6-27(25)31)20-35-12-14-38-15-13-35;1-18-13-23(29(31,32)33)22(16-34-18)28(39)36-25-14-19(3-4-26(25)38-9-7-37(2)8-10-38)21-15-27(35-17-24(21)30)41-20-5-11-40-12-6-20/h4-7,14-17,21,36H,1,8-13,18-19H2,2-3H3,(H,37,41);4-7,16-19,32H,2,8-15,20H2,1,3H3,(H,33,37);3-4,13-17,20,34H,1,5-12H2,2H3,(H,36,39)/t21-;;/m0../s1
InChIKeyJSGMBFGNNYCZSR-FGJQBABTSA-N
MW1676.89 g/mol
LogP13.48
Rot. Bonds18

About N-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 159008890) has the molecular formula C90H102F9N15O7 and a molecular weight of 1676.89 g/mol. Its IUPAC name is N-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID159008890
Molecular FormulaC90H102F9N15O7
Molecular Weight1676.89 g/mol
Exact Mass1675.79
IUPAC NameN-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCN(C)C[C@@H]2C)=CN1.C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cc(OC4CCOCC4)ncc3F)ccc2N2CCN(C)CC2)=CN1.C=C1C=C(C)C(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCN(C)CC2)=CN1
InChIInChI=1S/C31H35F4N5O2.C30H36FN5O2.C29H31F4N5O3/c1-20-14-26(31(33,34)35)25(17-36-20)30(41)37-28-16-23(5-7-29(28)40-9-8-38(3)18-21(40)2)24-15-22(4-6-27(24)32)19-39-10-12-42-13-11-39;1-21-16-22(2)32-19-26(21)30(37)33-28-18-24(5-7-29(28)36-10-8-34(3)9-11-36)25-17-23(4-6-27(25)31)20-35-12-14-38-15-13-35;1-18-13-23(29(31,32)33)22(16-34-18)28(39)36-25-14-19(3-4-26(25)38-9-7-37(2)8-10-38)21-15-27(35-17-24(21)30)41-20-5-11-40-12-6-20/h4-7,14-17,21,36H,1,8-13,18-19H2,2-3H3,(H,37,41);4-7,16-19,32H,2,8-15,20H2,1,3H3,(H,33,37);3-4,13-17,20,34H,1,5-12H2,2H3,(H,36,39)/t21-;;/m0../s1
InChIKeyJSGMBFGNNYCZSR-FGJQBABTSA-N
XLogP13.48
TPSA199.12 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001676.89
LogP ≤ 513.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze N-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

US11319299, Example 101
CID 164607884
US11319299, Example 209
CID 137376753
US11319299, Example 522
CID 138542597
US11319299, Example 543
CID 138551685
US11174250, Example 8
CID 163199825
US11174250, Example 31
CID 163199840
US11319299, Example 30
CID 164607831
US11319299, Example 66
CID 164607862
US11319299, Example 207
CID 164607943
US11319299, Example 292
CID 164607991
US11319299, Example 293
CID 164607992
US11319299, Example 403
CID 164608056

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 159008890) is N-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCN(C)C[C@@H]2C)=CN1.C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cc(OC4CCOCC4)ncc3F)ccc2N2CCN(C)CC2)=CN1.C=C1C=C(C)C(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCN(C)CC2)=CN1.
What is the InChIKey of N-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is JSGMBFGNNYCZSR-FGJQBABTSA-N. The full InChI is InChI=1S/C31H35F4N5O2.C30H36FN5O2.C29H31F4N5O3/c1-20-14-26(31(33,34)35)25(17-36-20)30(41)37-28-16-23(5-7-29(28)40-9-8-38(3)18-21(40)2)24-15-22(4-6-27(24)32)19-39-10-12-42-13-11-39;1-21-16-22(2)32-19-26(21)30(37)33-28-18-24(5-7-29(28)36-10-8-34(3)9-11-36)25-17-23(4-6-27(25)31)20-35-12-14-38-15-13-35;1-18-13-23(29(31,32)33)22(16-34-18)28(39)36-25-14-19(3-4-26(25)38-9-7-37(2)8-10-38)21-15-27(35-17-24(21)30)41-20-5-11-40-12-6-20/h4-7,14-17,21,36H,1,8-13,18-19H2,2-3H3,(H,37,41);4-7,16-19,32H,2,8-15,20H2,1,3H3,(H,33,37);3-4,13-17,20,34H,1,5-12H2,2H3,(H,36,39)/t21-;;/m0../s1.
What are the key properties of N-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 1676.89 g/mol, XLogP of 13.48, 18 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-6-methylidene-1H-pyridine-3-carboxamide;N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 159008890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).