5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide

C78H78Cl3N15O5Si2 — CID 160941796

IUPAC5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
SMILESC#Cc1cnc(N)nc1-c1cc(C(N)=O)c(-c2cc(Cl)ccc2C)n1COCC[Si](C)(C)C.Cc1ccc(Cl)cc1-c1[nH]c(-c2nc(N)ncc2C#Cc2ccccc2)cc1C(N)=O.Cc1ccc(Cl)cc1-c1c(C(N)=O)cc(-c2nc(N)ncc2C#Cc2ccccc2)n1COCC[Si](C)(C)C
InChIInChI=1S/C30H32ClN5O2Si.C24H28ClN5O2Si.C24H18ClN5O/c1-20-10-13-23(31)16-24(20)28-25(29(32)37)17-26(36(28)19-38-14-15-39(2,3)4)27-22(18-34-30(33)35-27)12-11-21-8-6-5-7-9-21;1-6-16-13-28-24(27)29-21(16)20-12-19(23(26)31)22(18-11-17(25)8-7-15(18)2)30(20)14-32-9-10-33(3,4)5;1-14-7-10-17(25)11-18(14)22-19(23(26)31)12-20(29-22)21-16(13-28-24(27)30-21)9-8-15-5-3-2-4-6-15/h5-10,13,16-18H,14-15,19H2,1-4H3,(H2,32,37)(H2,33,34,35);1,7-8,11-13H,9-10,14H2,2-5H3,(H2,26,31)(H2,27,28,29);2-7,10-13,29H,1H3,(H2,26,31)(H2,27,28,30)
InChIKeySUPJPGDPSIWNJE-UHFFFAOYSA-N
MW1468.11 g/mol
LogP14.70
Rot. Bonds19

About 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide

5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide (PubChem CID 160941796) has the molecular formula C78H78Cl3N15O5Si2 and a molecular weight of 1468.11 g/mol. Its IUPAC name is 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
PubChem CID160941796
Molecular FormulaC78H78Cl3N15O5Si2
Molecular Weight1468.11 g/mol
Exact Mass1465.49
IUPAC Name5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
SMILESC#Cc1cnc(N)nc1-c1cc(C(N)=O)c(-c2cc(Cl)ccc2C)n1COCC[Si](C)(C)C.Cc1ccc(Cl)cc1-c1[nH]c(-c2nc(N)ncc2C#Cc2ccccc2)cc1C(N)=O.Cc1ccc(Cl)cc1-c1c(C(N)=O)cc(-c2nc(N)ncc2C#Cc2ccccc2)n1COCC[Si](C)(C)C
InChIInChI=1S/C30H32ClN5O2Si.C24H28ClN5O2Si.C24H18ClN5O/c1-20-10-13-23(31)16-24(20)28-25(29(32)37)17-26(36(28)19-38-14-15-39(2,3)4)27-22(18-34-30(33)35-27)12-11-21-8-6-5-7-9-21;1-6-16-13-28-24(27)29-21(16)20-12-19(23(26)31)22(18-11-17(25)8-7-15(18)2)30(20)14-32-9-10-33(3,4)5;1-14-7-10-17(25)11-18(14)22-19(23(26)31)12-20(29-22)21-16(13-28-24(27)30-21)9-8-15-5-3-2-4-6-15/h5-10,13,16-18H,14-15,19H2,1-4H3,(H2,32,37)(H2,33,34,35);1,7-8,11-13H,9-10,14H2,2-5H3,(H2,26,31)(H2,27,28,29);2-7,10-13,29H,1H3,(H2,26,31)(H2,27,28,30)
InChIKeySUPJPGDPSIWNJE-UHFFFAOYSA-N
XLogP14.70
TPSA328.78 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001468.11
LogP ≤ 514.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide with MolForge

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Related Compounds

[4-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone;[4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 69984896
5-[2-Amino-5-(phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrole-3-carboxamide
CID 71239559
5-[2-Amino-5-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}ethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 71239593
5-[2-amino-5-[2-[3-(4-methylpiperazine-1-carbonyl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 71240044
5-[2-amino-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 71498396
5-[2-amino-5-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 71498397
5-[2-amino-5-[2-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 71498398
5-[2-amino-5-[2-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 71498438
5-[2-amino-5-[2-[3-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 71498527
5-[2-amino-5-[3-(1-methylpiperidin-4-yl)oxyprop-1-ynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 71498545
5-[2-amino-5-(2-pyridin-3-ylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 71498547
5-[2-amino-5-[2-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 71498604

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide (CID 160941796) is 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide is C#Cc1cnc(N)nc1-c1cc(C(N)=O)c(-c2cc(Cl)ccc2C)n1COCC[Si](C)(C)C.Cc1ccc(Cl)cc1-c1[nH]c(-c2nc(N)ncc2C#Cc2ccccc2)cc1C(N)=O.Cc1ccc(Cl)cc1-c1c(C(N)=O)cc(-c2nc(N)ncc2C#Cc2ccccc2)n1COCC[Si](C)(C)C.
What is the InChIKey of 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide?
The InChIKey is SUPJPGDPSIWNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN5O2Si.C24H28ClN5O2Si.C24H18ClN5O/c1-20-10-13-23(31)16-24(20)28-25(29(32)37)17-26(36(28)19-38-14-15-39(2,3)4)27-22(18-34-30(33)35-27)12-11-21-8-6-5-7-9-21;1-6-16-13-28-24(27)29-21(16)20-12-19(23(26)31)22(18-11-17(25)8-7-15(18)2)30(20)14-32-9-10-33(3,4)5;1-14-7-10-17(25)11-18(14)22-19(23(26)31)12-20(29-22)21-16(13-28-24(27)30-21)9-8-15-5-3-2-4-6-15/h5-10,13,16-18H,14-15,19H2,1-4H3,(H2,32,37)(H2,33,34,35);1,7-8,11-13H,9-10,14H2,2-5H3,(H2,26,31)(H2,27,28,29);2-7,10-13,29H,1H3,(H2,26,31)(H2,27,28,30).
What are the key properties of 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide?
5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide has a molecular weight of 1468.11 g/mol, XLogP of 14.70, 19 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 160941796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).