N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide

C107H76Cl3FN22O8 — CID 158288235

IUPACN-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)Nc2ccc(Nc3ncnc4[nH]cc(C(=O)c5ccccc5)c34)cc2)c2ccccc21.O=C(Nc1ccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)cc1)c1cc(F)ccc1Cl.O=C(Nc1ccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)cc1)c1ccc(Cl)cc1.O=C(Nc1ccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)cc1)c1ccncc1Cl
InChIInChI=1S/C30H24N6O2.C26H17ClFN5O2.C26H18ClN5O2.C25H17ClN6O2/c1-36-17-20(23-9-5-6-10-25(23)36)15-26(37)34-21-11-13-22(14-12-21)35-30-27-24(16-31-29(27)32-18-33-30)28(38)19-7-3-2-4-8-19;27-21-11-6-16(28)12-19(21)26(35)33-18-9-7-17(8-10-18)32-25-22-20(13-29-24(22)30-14-31-25)23(34)15-4-2-1-3-5-15;27-18-8-6-17(7-9-18)26(34)32-20-12-10-19(11-13-20)31-25-22-21(14-28-24(22)29-15-30-25)23(33)16-4-2-1-3-5-16;26-20-13-27-11-10-18(20)25(34)32-17-8-6-16(7-9-17)31-24-21-19(12-28-23(21)29-14-30-24)22(33)15-4-2-1-3-5-15/h2-14,16-18H,15H2,1H3,(H,34,37)(H2,31,32,33,35);1-14H,(H,33,35)(H2,29,30,31,32);1-15H,(H,32,34)(H2,28,29,30,31);1-14H,(H,32,34)(H2,28,29,30,31)
InChIKeyGLAUVBXLYCQXBP-UHFFFAOYSA-N
MW1923.29 g/mol
LogP22.65
Rot. Bonds25

About N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide

N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 158288235) has the molecular formula C107H76Cl3FN22O8 and a molecular weight of 1923.29 g/mol. Its IUPAC name is N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID158288235
Molecular FormulaC107H76Cl3FN22O8
Molecular Weight1923.29 g/mol
Exact Mass1920.53
IUPAC NameN-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)Nc2ccc(Nc3ncnc4[nH]cc(C(=O)c5ccccc5)c34)cc2)c2ccccc21.O=C(Nc1ccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)cc1)c1cc(F)ccc1Cl.O=C(Nc1ccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)cc1)c1ccc(Cl)cc1.O=C(Nc1ccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)cc1)c1ccncc1Cl
InChIInChI=1S/C30H24N6O2.C26H17ClFN5O2.C26H18ClN5O2.C25H17ClN6O2/c1-36-17-20(23-9-5-6-10-25(23)36)15-26(37)34-21-11-13-22(14-12-21)35-30-27-24(16-31-29(27)32-18-33-30)28(38)19-7-3-2-4-8-19;27-21-11-6-16(28)12-19(21)26(35)33-18-9-7-17(8-10-18)32-25-22-20(13-29-24(22)30-14-31-25)23(34)15-4-2-1-3-5-15;27-18-8-6-17(7-9-18)26(34)32-20-12-10-19(11-13-20)31-25-22-21(14-28-24(22)29-15-30-25)23(33)16-4-2-1-3-5-16;26-20-13-27-11-10-18(20)25(34)32-17-8-6-16(7-9-17)31-24-21-19(12-28-23(21)29-14-30-24)22(33)15-4-2-1-3-5-15/h2-14,16-18H,15H2,1H3,(H,34,37)(H2,31,32,33,35);1-14H,(H,33,35)(H2,29,30,31,32);1-15H,(H,32,34)(H2,28,29,30,31);1-14H,(H,32,34)(H2,28,29,30,31)
InChIKeyGLAUVBXLYCQXBP-UHFFFAOYSA-N
XLogP22.65
TPSA416.90 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001923.29
LogP ≤ 522.65
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide with MolForge

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Related Compounds

N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide
CID 58327733
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1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-phenylurea
CID 58327711
[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone
CID 53258567
2-(1-methylindol-3-yl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317256
2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid
CID 53385203
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445
N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014071
N-[4-[4-[[(3S,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]pyridine-4-carboxamide
CID 134283415
N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 58327718
N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119394
2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122355152

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide (CID 158288235) is N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide is Cn1cc(CC(=O)Nc2ccc(Nc3ncnc4[nH]cc(C(=O)c5ccccc5)c34)cc2)c2ccccc21.O=C(Nc1ccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)cc1)c1cc(F)ccc1Cl.O=C(Nc1ccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)cc1)c1ccc(Cl)cc1.O=C(Nc1ccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)cc1)c1ccncc1Cl.
What is the InChIKey of N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is GLAUVBXLYCQXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O2.C26H17ClFN5O2.C26H18ClN5O2.C25H17ClN6O2/c1-36-17-20(23-9-5-6-10-25(23)36)15-26(37)34-21-11-13-22(14-12-21)35-30-27-24(16-31-29(27)32-18-33-30)28(38)19-7-3-2-4-8-19;27-21-11-6-16(28)12-19(21)26(35)33-18-9-7-17(8-10-18)32-25-22-20(13-29-24(22)30-14-31-25)23(34)15-4-2-1-3-5-15;27-18-8-6-17(7-9-18)26(34)32-20-12-10-19(11-13-20)31-25-22-21(14-28-24(22)29-15-30-25)23(33)16-4-2-1-3-5-16;26-20-13-27-11-10-18(20)25(34)32-17-8-6-16(7-9-17)31-24-21-19(12-28-23(21)29-14-30-24)22(33)15-4-2-1-3-5-15/h2-14,16-18H,15H2,1H3,(H,34,37)(H2,31,32,33,35);1-14H,(H,33,35)(H2,29,30,31,32);1-15H,(H,32,34)(H2,28,29,30,31);1-14H,(H,32,34)(H2,28,29,30,31).
What are the key properties of N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide?
N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 1923.29 g/mol, XLogP of 22.65, 25 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-chlorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-chloro-5-fluorobenzamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-chloropyridine-4-carboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 158288235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).