1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone

C114H109N25O8 — CID 161346161

IUPAC1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone
SMILESCC(=O)C1=C(c2ccccc2)CC(c2ccnc(N)n2)=C1.CCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.COc1cc(-c2cn(C(C)=O)cc2-c2cccnc2)cc(OC)c1OC.Cc1ccc(-c2cc(-c3ccncc3)[nH]c2-c2nccc3ccccc23)cc1.NCCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.NCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C25H19N3.C20H20N2O4.C18H20N6O.C17H18N6O.C17H17N5O.C17H15N3O/c1-17-6-8-19(9-7-17)22-16-23(20-10-13-26-14-11-20)28-25(22)24-21-5-3-2-4-18(21)12-15-27-24;1-13(23)22-11-16(14-6-5-7-21-10-14)17(12-22)15-8-18(24-2)20(26-4)19(9-15)25-3;19-8-4-10-24-15(14-7-9-22-18(21)23-14)11-13(17(20)25)16(24)12-5-2-1-3-6-12;18-7-9-23-14(13-6-8-21-17(20)22-13)10-12(16(19)24)15(23)11-4-2-1-3-5-11;1-2-22-14(13-8-9-20-17(19)21-13)10-12(16(18)23)15(22)11-6-4-3-5-7-11;1-11(21)14-9-13(16-7-8-19-17(18)20-16)10-15(14)12-5-3-2-4-6-12/h2-16,28H,1H3;5-12H,1-4H3;1-3,5-7,9,11H,4,8,10,19H2,(H2,20,25)(H2,21,22,23);1-6,8,10H,7,9,18H2,(H2,19,24)(H2,20,21,22);3-10H,2H2,1H3,(H2,18,23)(H2,19,20,21);2-9H,10H2,1H3,(H2,18,19,20)
InChIKeyVNHXBMYALKWEBD-UHFFFAOYSA-N
MW1957.29 g/mol
LogP18.27
Rot. Bonds26

About 1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone

1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone (PubChem CID 161346161) has the molecular formula C114H109N25O8 and a molecular weight of 1957.29 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone
PubChem CID161346161
Molecular FormulaC114H109N25O8
Molecular Weight1957.29 g/mol
Exact Mass1955.89
IUPAC Name1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone
SMILESCC(=O)C1=C(c2ccccc2)CC(c2ccnc(N)n2)=C1.CCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.COc1cc(-c2cn(C(C)=O)cc2-c2cccnc2)cc(OC)c1OC.Cc1ccc(-c2cc(-c3ccncc3)[nH]c2-c2nccc3ccccc23)cc1.NCCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.NCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C25H19N3.C20H20N2O4.C18H20N6O.C17H18N6O.C17H17N5O.C17H15N3O/c1-17-6-8-19(9-7-17)22-16-23(20-10-13-26-14-11-20)28-25(22)24-21-5-3-2-4-18(21)12-15-27-24;1-13(23)22-11-16(14-6-5-7-21-10-14)17(12-22)15-8-18(24-2)20(26-4)19(9-15)25-3;19-8-4-10-24-15(14-7-9-22-18(21)23-14)11-13(17(20)25)16(24)12-5-2-1-3-6-12;18-7-9-23-14(13-6-8-21-17(20)22-13)10-12(16(19)24)15(23)11-4-2-1-3-5-11;1-2-22-14(13-8-9-20-17(19)21-13)10-12(16(18)23)15(22)11-6-4-3-5-7-11;1-11(21)14-9-13(16-7-8-19-17(18)20-16)10-15(14)12-5-3-2-4-6-12/h2-16,28H,1H3;5-12H,1-4H3;1-3,5-7,9,11H,4,8,10,19H2,(H2,20,25)(H2,21,22,23);1-6,8,10H,7,9,18H2,(H2,19,24)(H2,20,21,22);3-10H,2H2,1H3,(H2,18,23)(H2,19,20,21);2-9H,10H2,1H3,(H2,18,19,20)
InChIKeyVNHXBMYALKWEBD-UHFFFAOYSA-N
XLogP18.27
TPSA524.52 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001957.29
LogP ≤ 518.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone?
The IUPAC name of 1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone (CID 161346161) is 1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone.
What is the SMILES notation for 1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone?
The canonical SMILES for 1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone is CC(=O)C1=C(c2ccccc2)CC(c2ccnc(N)n2)=C1.CCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.COc1cc(-c2cn(C(C)=O)cc2-c2cccnc2)cc(OC)c1OC.Cc1ccc(-c2cc(-c3ccncc3)[nH]c2-c2nccc3ccccc23)cc1.NCCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.NCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.
What is the InChIKey of 1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone?
The InChIKey is VNHXBMYALKWEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3.C20H20N2O4.C18H20N6O.C17H18N6O.C17H17N5O.C17H15N3O/c1-17-6-8-19(9-7-17)22-16-23(20-10-13-26-14-11-20)28-25(22)24-21-5-3-2-4-18(21)12-15-27-24;1-13(23)22-11-16(14-6-5-7-21-10-14)17(12-22)15-8-18(24-2)20(26-4)19(9-15)25-3;19-8-4-10-24-15(14-7-9-22-18(21)23-14)11-13(17(20)25)16(24)12-5-2-1-3-6-12;18-7-9-23-14(13-6-8-21-17(20)22-13)10-12(16(19)24)15(23)11-4-2-1-3-5-11;1-2-22-14(13-8-9-20-17(19)21-13)10-12(16(18)23)15(22)11-6-4-3-5-7-11;1-11(21)14-9-13(16-7-8-19-17(18)20-16)10-15(14)12-5-3-2-4-6-12/h2-16,28H,1H3;5-12H,1-4H3;1-3,5-7,9,11H,4,8,10,19H2,(H2,20,25)(H2,21,22,23);1-6,8,10H,7,9,18H2,(H2,19,24)(H2,20,21,22);3-10H,2H2,1H3,(H2,18,23)(H2,19,20,21);2-9H,10H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone?
1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone has a molecular weight of 1957.29 g/mol, XLogP of 18.27, 26 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[3-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone is sourced from PubChem (CID 161346161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).