N-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide

C96H109F13N16O7 — CID 160561722

IUPACN-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCC(F)CC4)ccc3F)ccc2N2CCN(C)CC2)cn1.COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCN(C(C)=O)CC4)ccc3F)ccc2N2CCN(C)CC2)cn1.COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CC[C@H](C(C)C)C4)ccc3F)ccc2N2CCN(C)CC2)cn1
InChIInChI=1S/C33H39F4N5O2.C32H36F4N6O3.C31H34F5N5O2/c1-21(2)24-9-10-41(20-24)19-22-5-7-28(34)25(15-22)23-6-8-30(42-13-11-40(3)12-14-42)29(16-23)39-32(43)26-18-38-31(44-4)17-27(26)33(35,36)37;1-21(43)41-14-10-40(11-15-41)20-22-4-6-27(33)24(16-22)23-5-7-29(42-12-8-39(2)9-13-42)28(17-23)38-31(44)25-19-37-30(45-3)18-26(25)32(34,35)36;1-39-11-13-41(14-12-39)28-6-4-21(23-15-20(3-5-26(23)33)19-40-9-7-22(32)8-10-40)16-27(28)38-30(42)24-18-37-29(43-2)17-25(24)31(34,35)36/h5-8,15-18,21,24H,9-14,19-20H2,1-4H3,(H,39,43);4-7,16-19H,8-15,20H2,1-3H3,(H,38,44);3-6,15-18,22H,7-14,19H2,1-2H3,(H,38,42)/t24-;;/m0../s1
InChIKeyQZKAVWRXJBGIPI-ASMAMLKCSA-N
MW1846.01 g/mol
LogP16.83
Rot. Bonds22

About N-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide

N-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 160561722) has the molecular formula C96H109F13N16O7 and a molecular weight of 1846.01 g/mol. Its IUPAC name is N-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID160561722
Molecular FormulaC96H109F13N16O7
Molecular Weight1846.01 g/mol
Exact Mass1844.85
IUPAC NameN-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCC(F)CC4)ccc3F)ccc2N2CCN(C)CC2)cn1.COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCN(C(C)=O)CC4)ccc3F)ccc2N2CCN(C)CC2)cn1.COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CC[C@H](C(C)C)C4)ccc3F)ccc2N2CCN(C)CC2)cn1
InChIInChI=1S/C33H39F4N5O2.C32H36F4N6O3.C31H34F5N5O2/c1-21(2)24-9-10-41(20-24)19-22-5-7-28(34)25(15-22)23-6-8-30(42-13-11-40(3)12-14-42)29(16-23)39-32(43)26-18-38-31(44-4)17-27(26)33(35,36)37;1-21(43)41-14-10-40(11-15-41)20-22-4-6-27(33)24(16-22)23-5-7-29(42-12-8-39(2)9-13-42)28(17-23)38-31(44)25-19-37-30(45-3)18-26(25)32(34,35)36;1-39-11-13-41(14-12-39)28-6-4-21(23-15-20(3-5-26(23)33)19-40-9-7-22(32)8-10-40)16-27(28)38-30(42)24-18-37-29(43-2)17-25(24)31(34,35)36/h5-8,15-18,21,24H,9-14,19-20H2,1-4H3,(H,39,43);4-7,16-19H,8-15,20H2,1-3H3,(H,38,44);3-6,15-18,22H,7-14,19H2,1-2H3,(H,38,42)/t24-;;/m0../s1
InChIKeyQZKAVWRXJBGIPI-ASMAMLKCSA-N
XLogP16.83
TPSA203.13 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001846.01
LogP ≤ 516.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze N-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide (CID 160561722) is N-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide is COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCC(F)CC4)ccc3F)ccc2N2CCN(C)CC2)cn1.COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCN(C(C)=O)CC4)ccc3F)ccc2N2CCN(C)CC2)cn1.COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CC[C@H](C(C)C)C4)ccc3F)ccc2N2CCN(C)CC2)cn1.
What is the InChIKey of N-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QZKAVWRXJBGIPI-ASMAMLKCSA-N. The full InChI is InChI=1S/C33H39F4N5O2.C32H36F4N6O3.C31H34F5N5O2/c1-21(2)24-9-10-41(20-24)19-22-5-7-28(34)25(15-22)23-6-8-30(42-13-11-40(3)12-14-42)29(16-23)39-32(43)26-18-38-31(44-4)17-27(26)33(35,36)37;1-21(43)41-14-10-40(11-15-41)20-22-4-6-27(33)24(16-22)23-5-7-29(42-12-8-39(2)9-13-42)28(17-23)38-31(44)25-19-37-30(45-3)18-26(25)32(34,35)36;1-39-11-13-41(14-12-39)28-6-4-21(23-15-20(3-5-26(23)33)19-40-9-7-22(32)8-10-40)16-27(28)38-30(42)24-18-37-29(43-2)17-25(24)31(34,35)36/h5-8,15-18,21,24H,9-14,19-20H2,1-4H3,(H,39,43);4-7,16-19H,8-15,20H2,1-3H3,(H,38,44);3-6,15-18,22H,7-14,19H2,1-2H3,(H,38,42)/t24-;;/m0../s1.
What are the key properties of N-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 1846.01 g/mol, XLogP of 16.83, 22 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-fluoro-5-[[(3R)-3-propan-2-ylpyrrolidin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 160561722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).