N-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

C60H54Cl2F3N15O6 — CID 160594105

IUPACN-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCN1CCN(C(=O)c2ccc(Nc3ncc(NC(=O)c4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4Cl)cn3)cc2)CC1.CN1CCN(C(=O)c2ccc(Nc3ncc(NC(=O)c4cc(NC(=O)c5cccnc5)ccc4Cl)cn3)cc2)CC1
InChIInChI=1S/C31H27ClF3N7O3.C29H27ClN8O3/c1-41-11-13-42(14-12-41)29(45)19-5-7-22(8-6-19)40-30-36-17-24(18-37-30)39-28(44)25-16-23(9-10-26(25)32)38-27(43)20-3-2-4-21(15-20)31(33,34)35;1-37-11-13-38(14-12-37)28(41)19-4-6-21(7-5-19)36-29-32-17-23(18-33-29)35-27(40)24-15-22(8-9-25(24)30)34-26(39)20-3-2-10-31-16-20/h2-10,15-18H,11-14H2,1H3,(H,38,43)(H,39,44)(H,36,37,40);2-10,15-18H,11-14H2,1H3,(H,34,39)(H,35,40)(H,32,33,36)
InChIKeyRDKCKYGMLQKVLU-UHFFFAOYSA-N
MW1209.09 g/mol
LogP9.95
Rot. Bonds14

About N-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

N-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 160594105) has the molecular formula C60H54Cl2F3N15O6 and a molecular weight of 1209.09 g/mol. Its IUPAC name is N-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID160594105
Molecular FormulaC60H54Cl2F3N15O6
Molecular Weight1209.09 g/mol
Exact Mass1207.37
IUPAC NameN-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCN1CCN(C(=O)c2ccc(Nc3ncc(NC(=O)c4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4Cl)cn3)cc2)CC1.CN1CCN(C(=O)c2ccc(Nc3ncc(NC(=O)c4cc(NC(=O)c5cccnc5)ccc4Cl)cn3)cc2)CC1
InChIInChI=1S/C31H27ClF3N7O3.C29H27ClN8O3/c1-41-11-13-42(14-12-41)29(45)19-5-7-22(8-6-19)40-30-36-17-24(18-37-30)39-28(44)25-16-23(9-10-26(25)32)38-27(43)20-3-2-4-21(15-20)31(33,34)35;1-37-11-13-38(14-12-37)28(41)19-4-6-21(7-5-19)36-29-32-17-23(18-33-29)35-27(40)24-15-22(8-9-25(24)30)34-26(39)20-3-2-10-31-16-20/h2-10,15-18H,11-14H2,1H3,(H,38,43)(H,39,44)(H,36,37,40);2-10,15-18H,11-14H2,1H3,(H,34,39)(H,35,40)(H,32,33,36)
InChIKeyRDKCKYGMLQKVLU-UHFFFAOYSA-N
XLogP9.95
TPSA252.01 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001209.09
LogP ≤ 59.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze N-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide with MolForge

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Related Compounds

N-[2-(3-aminoanilino)pyrimidin-5-yl]-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 71556006
2-Chloro-N-(2-(pyridin-3-ylamino)pyrimidin-5-yl)-5-(3-(trifluoromethyl)benzamido)benzamide
CID 24961098
2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 24961099
N-[4-chloro-3-[[[2-(pyridin-3-ylamino)pyrimidin-5-yl]amino]methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 24961459
5-{5-[2-Chloro-5-(3-Trifluoromethyl-Benzoylamino)-Benzoylamino]-Pyrimidin-2-ylamino}-Pyridine-2-Carboxylic Acid (2-Pyrrolidin-1-yl-Ethyl)-Amide
CID 24961462
2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyridin-3-yl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 24961820
2-Chloro-N-{2-[4-(4-Methyl-Piperazine-1-Carbonyl)-Phenylamino]-Pyrimidin-5-yl}-5-(3-Trifluoromethyl-Benzoylamino)-Benzamide
CID 24962187
2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 24962544
N-[4-chloro-3-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 53372348
2-chloro-N-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 59381864
N-[4-chloro-3-[[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 59381887
2-chloro-N-[4-methyl-3-[[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 59381888

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of N-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 160594105) is N-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is CN1CCN(C(=O)c2ccc(Nc3ncc(NC(=O)c4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4Cl)cn3)cc2)CC1.CN1CCN(C(=O)c2ccc(Nc3ncc(NC(=O)c4cc(NC(=O)c5cccnc5)ccc4Cl)cn3)cc2)CC1.
What is the InChIKey of N-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is RDKCKYGMLQKVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClF3N7O3.C29H27ClN8O3/c1-41-11-13-42(14-12-41)29(45)19-5-7-22(8-6-19)40-30-36-17-24(18-37-30)39-28(44)25-16-23(9-10-26(25)32)38-27(43)20-3-2-4-21(15-20)31(33,34)35;1-37-11-13-38(14-12-37)28(41)19-4-6-21(7-5-19)36-29-32-17-23(18-33-29)35-27(40)24-15-22(8-9-25(24)30)34-26(39)20-3-2-10-31-16-20/h2-10,15-18H,11-14H2,1H3,(H,38,43)(H,39,44)(H,36,37,40);2-10,15-18H,11-14H2,1H3,(H,34,39)(H,35,40)(H,32,33,36).
What are the key properties of N-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
N-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 1209.09 g/mol, XLogP of 9.95, 14 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 160594105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).