[4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone

C104H107N19O7 — CID 157287191

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC(=O)N1CCCN(C(=O)c2ccc(Nc3nccc(-c4ccc(C)cc4)n3)cc2)CC1.Cc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)n2)cc1.Cc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3)n2)cc1.Cc1ccc(-c2ccnc(Nc3ccc(C(=O)NCCCC(C)C)cc3)n2)cc1
InChIInChI=1S/C28H27N5O.C27H25N5O3.C25H27N5O2.C24H28N4O/c1-21-7-9-22(10-8-21)26-15-16-29-28(31-26)30-24-13-11-23(12-14-24)27(34)33-19-17-32(18-20-33)25-5-3-2-4-6-25;1-19-4-6-20(7-5-19)23-12-13-28-27(30-23)29-22-10-8-21(9-11-22)25(33)31-14-16-32(17-15-31)26(34)24-3-2-18-35-24;1-18-4-6-20(7-5-18)23-12-13-26-25(28-23)27-22-10-8-21(9-11-22)24(32)30-15-3-14-29(16-17-30)19(2)31;1-17(2)5-4-15-25-23(29)20-10-12-21(13-11-20)27-24-26-16-14-22(28-24)19-8-6-18(3)7-9-19/h2-16H,17-20H2,1H3,(H,29,30,31);2-13,18H,14-17H2,1H3,(H,28,29,30);4-13H,3,14-17H2,1-2H3,(H,26,27,28);6-14,16-17H,4-5,15H2,1-3H3,(H,25,29)(H,26,27,28)
InChIKeyBAJIJPXEIKJYNN-UHFFFAOYSA-N
MW1735.13 g/mol
LogP18.80
Rot. Bonds22

About [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 157287191) has the molecular formula C104H107N19O7 and a molecular weight of 1735.13 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID157287191
Molecular FormulaC104H107N19O7
Molecular Weight1735.13 g/mol
Exact Mass1733.86
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC(=O)N1CCCN(C(=O)c2ccc(Nc3nccc(-c4ccc(C)cc4)n3)cc2)CC1.Cc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)n2)cc1.Cc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3)n2)cc1.Cc1ccc(-c2ccnc(Nc3ccc(C(=O)NCCCC(C)C)cc3)n2)cc1
InChIInChI=1S/C28H27N5O.C27H25N5O3.C25H27N5O2.C24H28N4O/c1-21-7-9-22(10-8-21)26-15-16-29-28(31-26)30-24-13-11-23(12-14-24)27(34)33-19-17-32(18-20-33)25-5-3-2-4-6-25;1-19-4-6-20(7-5-19)23-12-13-28-27(30-23)29-22-10-8-21(9-11-22)25(33)31-14-16-32(17-15-31)26(34)24-3-2-18-35-24;1-18-4-6-20(7-5-18)23-12-13-26-25(28-23)27-22-10-8-21(9-11-22)24(32)30-15-3-14-29(16-17-30)19(2)31;1-17(2)5-4-15-25-23(29)20-10-12-21(13-11-20)27-24-26-16-14-22(28-24)19-8-6-18(3)7-9-19/h2-16H,17-20H2,1H3,(H,29,30,31);2-13,18H,14-17H2,1H3,(H,28,29,30);4-13H,3,14-17H2,1-2H3,(H,26,27,28);6-14,16-17H,4-5,15H2,1-3H3,(H,25,29)(H,26,27,28)
InChIKeyBAJIJPXEIKJYNN-UHFFFAOYSA-N
XLogP18.80
TPSA298.27 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001735.13
LogP ≤ 518.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide
CID 46882361
5-(4-cyanophenyl)-N-(4-piperazin-1-ylphenyl)-N-[(2-pyrimidin-5-yl-3-pyridinyl)methyl]furan-2-carboxamide
CID 57393105
N-[[(2R,4S,5R)-5-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]furan-2-carboxamide
CID 40777165
N-(furan-2-ylmethyl)-1-[(2R,4S,5R)-5-(6-pentan-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 45360437
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide
CID 53308720
7-(2-furoyl)-N-(pyridin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56902257
N-[[(2R,4S,5R)-5-[6-[4-(dimethylamino)phenyl]-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]furan-2-carboxamide
CID 26742482
4-[1-(2-furoyl)piperidin-3-yl]-N-(3-methylphenyl)pyrimidin-2-amine
CID 53139979
4-[1-(2-furoyl)piperidin-3-yl]-N-(4-methylphenyl)pyrimidin-2-amine
CID 53139997
N-[[(2R,4S,5R)-5-(6-pentan-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]furan-2-carboxamide
CID 40776981
N-[[(2R,4S,5R)-5-(2-methyl-6-phenylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]furan-2-carboxamide
CID 40777042
N-{2-[(2-furylmethyl)(2-phenylethyl)amino]ethyl}-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53102085

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone (CID 157287191) is [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone is CC(=O)N1CCCN(C(=O)c2ccc(Nc3nccc(-c4ccc(C)cc4)n3)cc2)CC1.Cc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)n2)cc1.Cc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3)n2)cc1.Cc1ccc(-c2ccnc(Nc3ccc(C(=O)NCCCC(C)C)cc3)n2)cc1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is BAJIJPXEIKJYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O.C27H25N5O3.C25H27N5O2.C24H28N4O/c1-21-7-9-22(10-8-21)26-15-16-29-28(31-26)30-24-13-11-23(12-14-24)27(34)33-19-17-32(18-20-33)25-5-3-2-4-6-25;1-19-4-6-20(7-5-19)23-12-13-28-27(30-23)29-22-10-8-21(9-11-22)25(33)31-14-16-32(17-15-31)26(34)24-3-2-18-35-24;1-18-4-6-20(7-5-18)23-12-13-26-25(28-23)27-22-10-8-21(9-11-22)24(32)30-15-3-14-29(16-17-30)19(2)31;1-17(2)5-4-15-25-23(29)20-10-12-21(13-11-20)27-24-26-16-14-22(28-24)19-8-6-18(3)7-9-19/h2-16H,17-20H2,1H3,(H,29,30,31);2-13,18H,14-17H2,1H3,(H,28,29,30);4-13H,3,14-17H2,1-2H3,(H,26,27,28);6-14,16-17H,4-5,15H2,1-3H3,(H,25,29)(H,26,27,28).
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 1735.13 g/mol, XLogP of 18.80, 22 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone;N-(4-methylpentyl)-4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzoyl]-1,4-diazepan-1-yl]ethanone;[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 157287191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).