1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone

C125H142F8N26O9 — CID 157147076

IUPAC1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone
SMILESCCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Oc4cc(NCC(C)=O)ncn4)c3)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Oc4cc(Nc5ccn[nH]5)ncn4)c3)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Oc4cc(Nc5cn[nH]c5)ncn4)c3)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Oc4cc(Nc5cncnc5)ncn4)c3)cc2C(C)(F)F)CC1
InChIInChI=1S/C32H35F2N7O2.2C31H35F2N7O2.C31H37F2N5O3/c1-4-40-9-11-41(12-10-40)19-25-8-6-23(13-27(25)32(3,33)34)14-28(42)24-7-5-22(2)29(15-24)43-31-16-30(37-21-38-31)39-26-17-35-20-36-18-26;1-4-39-9-11-40(12-10-39)19-24-8-6-22(13-26(24)31(3,32)33)14-27(41)23-7-5-21(2)28(15-23)42-30-16-29(34-20-35-30)38-25-17-36-37-18-25;1-4-39-11-13-40(14-12-39)19-24-8-6-22(15-25(24)31(3,32)33)16-26(41)23-7-5-21(2)27(17-23)42-30-18-29(34-20-35-30)37-28-9-10-36-38-28;1-5-37-10-12-38(13-11-37)19-25-9-7-23(14-26(25)31(4,32)33)15-27(40)24-8-6-21(2)28(16-24)41-30-17-29(35-20-36-30)34-18-22(3)39/h5-8,13,15-18,20-21H,4,9-12,14,19H2,1-3H3,(H,37,38,39);5-8,13,15-18,20H,4,9-12,14,19H2,1-3H3,(H,36,37)(H,34,35,38);5-10,15,17-18,20H,4,11-14,16,19H2,1-3H3,(H2,34,35,36,37,38);6-9,14,16-17,20H,5,10-13,15,18-19H2,1-4H3,(H,34,35,36)
InChIKeyAKVFRGJDLPWLAK-UHFFFAOYSA-N
MW2304.67 g/mol
LogP22.48
Rot. Bonds45

About 1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone

1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone (PubChem CID 157147076) has the molecular formula C125H142F8N26O9 and a molecular weight of 2304.67 g/mol. Its IUPAC name is 1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone
PubChem CID157147076
Molecular FormulaC125H142F8N26O9
Molecular Weight2304.67 g/mol
Exact Mass2303.13
IUPAC Name1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone
SMILESCCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Oc4cc(NCC(C)=O)ncn4)c3)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Oc4cc(Nc5ccn[nH]5)ncn4)c3)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Oc4cc(Nc5cn[nH]c5)ncn4)c3)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Oc4cc(Nc5cncnc5)ncn4)c3)cc2C(C)(F)F)CC1
InChIInChI=1S/C32H35F2N7O2.2C31H35F2N7O2.C31H37F2N5O3/c1-4-40-9-11-41(12-10-40)19-25-8-6-23(13-27(25)32(3,33)34)14-28(42)24-7-5-22(2)29(15-24)43-31-16-30(37-21-38-31)39-26-17-35-20-36-18-26;1-4-39-9-11-40(12-10-39)19-24-8-6-22(13-26(24)31(3,32)33)14-27(41)23-7-5-21(2)28(15-23)42-30-16-29(34-20-35-30)38-25-17-36-37-18-25;1-4-39-11-13-40(14-12-39)19-24-8-6-22(15-25(24)31(3,32)33)16-26(41)23-7-5-21(2)27(17-23)42-30-18-29(34-20-35-30)37-28-9-10-36-38-28;1-5-37-10-12-38(13-11-37)19-25-9-7-23(14-26(25)31(4,32)33)15-27(40)24-8-6-21(2)28(16-24)41-30-17-29(35-20-36-30)34-18-22(3)39/h5-8,13,15-18,20-21H,4,9-12,14,19H2,1-3H3,(H,37,38,39);5-8,13,15-18,20H,4,9-12,14,19H2,1-3H3,(H,36,37)(H,34,35,38);5-10,15,17-18,20H,4,11-14,16,19H2,1-3H3,(H2,34,35,36,37,38);6-9,14,16-17,20H,5,10-13,15,18-19H2,1-4H3,(H,34,35,36)
InChIKeyAKVFRGJDLPWLAK-UHFFFAOYSA-N
XLogP22.48
TPSA382.57 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds45
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002304.67
LogP ≤ 522.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone with MolForge

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Related Compounds

Ret-IN-16
CID 146556121
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(6-pyridin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy]benzamide
CID 146556122
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxybenzamide
CID 118152181
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxybenzamide
CID 118152183
3-[4-[methyl-[[4-[2-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]carbamoyl]phenoxy]ethyl]morpholin-3-yl]methyl]carbamoyl]phenyl]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 143484173
2-[3-(1,1-Difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]ethanone
CID 146875787
2-[4-[(4-Ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]ethanone
CID 147558406
2-[4-[(4-Ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]ethanone
CID 147702647
2-[3-(1,1-Difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]oxyphenyl]ethanone
CID 147993545
2-[3-(1,1-Difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone
CID 148567584
2-[4-[(4-Ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[6-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]oxyphenyl]ethanone
CID 148793241
2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone
CID 149260998

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone?
The IUPAC name of 1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone (CID 157147076) is 1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone.
What is the SMILES notation for 1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone?
The canonical SMILES for 1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone is CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Oc4cc(NCC(C)=O)ncn4)c3)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Oc4cc(Nc5ccn[nH]5)ncn4)c3)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Oc4cc(Nc5cn[nH]c5)ncn4)c3)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(Oc4cc(Nc5cncnc5)ncn4)c3)cc2C(C)(F)F)CC1.
What is the InChIKey of 1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone?
The InChIKey is AKVFRGJDLPWLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N7O2.2C31H35F2N7O2.C31H37F2N5O3/c1-4-40-9-11-41(12-10-40)19-25-8-6-23(13-27(25)32(3,33)34)14-28(42)24-7-5-22(2)29(15-24)43-31-16-30(37-21-38-31)39-26-17-35-20-36-18-26;1-4-39-9-11-40(12-10-39)19-24-8-6-22(13-26(24)31(3,32)33)14-27(41)23-7-5-21(2)28(15-23)42-30-16-29(34-20-35-30)38-25-17-36-37-18-25;1-4-39-11-13-40(14-12-39)19-24-8-6-22(15-25(24)31(3,32)33)16-26(41)23-7-5-21(2)27(17-23)42-30-18-29(34-20-35-30)37-28-9-10-36-38-28;1-5-37-10-12-38(13-11-37)19-25-9-7-23(14-26(25)31(4,32)33)15-27(40)24-8-6-21(2)28(16-24)41-30-17-29(35-20-36-30)34-18-22(3)39/h5-8,13,15-18,20-21H,4,9-12,14,19H2,1-3H3,(H,37,38,39);5-8,13,15-18,20H,4,9-12,14,19H2,1-3H3,(H,36,37)(H,34,35,38);5-10,15,17-18,20H,4,11-14,16,19H2,1-3H3,(H2,34,35,36,37,38);6-9,14,16-17,20H,5,10-13,15,18-19H2,1-4H3,(H,34,35,36).
What are the key properties of 1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone?
1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone has a molecular weight of 2304.67 g/mol, XLogP of 22.48, 45 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]propan-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone is sourced from PubChem (CID 157147076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).