5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide

C89H90N24O8 — CID 159117305

IUPAC5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide
SMILESCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.CNC(=O)C1=C(c2ccccc2)CC(c2ccnc(N)n2)=C1.Cn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.NC(=O)c1cc(-c2ccnc(N)n2)n(CCO)c1-c1ccccc1.NC(=O)c1cc(-c2cnc(N)nc2)n(CCOC2CCCCO2)c1-c1ccccc1
InChIInChI=1S/C22H25N5O3.C17H17N5O2.C17H17N5O.C17H16N4O.C16H15N5O/c23-21(28)17-12-18(16-13-25-22(24)26-14-16)27(20(17)15-6-2-1-3-7-15)9-11-30-19-8-4-5-10-29-19;18-16(24)12-10-14(13-6-7-20-17(19)21-13)22(8-9-23)15(12)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;1-19-16(22)14-10-12(15-7-8-20-17(18)21-15)9-13(14)11-5-3-2-4-6-11;1-21-13(12-7-8-19-16(18)20-12)9-11(15(17)22)14(21)10-5-3-2-4-6-10/h1-3,6-7,12-14,19H,4-5,8-11H2,(H2,23,28)(H2,24,25,26);1-7,10,23H,8-9H2,(H2,18,24)(H2,19,20,21);3-10H,2H2,1H3,(H2,18,23)(H2,19,20,21);2-8,10H,9H2,1H3,(H,19,22)(H2,18,20,21);2-9H,1H3,(H2,17,22)(H2,18,19,20)
InChIKeyKFGCOZAHQVVXOC-UHFFFAOYSA-N
MW1623.86 g/mol
LogP10.31
Rot. Bonds22

About 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide

5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide (PubChem CID 159117305) has the molecular formula C89H90N24O8 and a molecular weight of 1623.86 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide
PubChem CID159117305
Molecular FormulaC89H90N24O8
Molecular Weight1623.86 g/mol
Exact Mass1622.74
IUPAC Name5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide
SMILESCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.CNC(=O)C1=C(c2ccccc2)CC(c2ccnc(N)n2)=C1.Cn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.NC(=O)c1cc(-c2ccnc(N)n2)n(CCO)c1-c1ccccc1.NC(=O)c1cc(-c2cnc(N)nc2)n(CCOC2CCCCO2)c1-c1ccccc1
InChIInChI=1S/C22H25N5O3.C17H17N5O2.C17H17N5O.C17H16N4O.C16H15N5O/c23-21(28)17-12-18(16-13-25-22(24)26-14-16)27(20(17)15-6-2-1-3-7-15)9-11-30-19-8-4-5-10-29-19;18-16(24)12-10-14(13-6-7-20-17(19)21-13)22(8-9-23)15(12)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;1-19-16(22)14-10-12(15-7-8-20-17(18)21-15)9-13(14)11-5-3-2-4-6-11;1-21-13(12-7-8-19-16(18)20-12)9-11(15(17)22)14(21)10-5-3-2-4-6-10/h1-3,6-7,12-14,19H,4-5,8-11H2,(H2,23,28)(H2,24,25,26);1-7,10,23H,8-9H2,(H2,18,24)(H2,19,20,21);3-10H,2H2,1H3,(H2,18,23)(H2,19,20,21);2-8,10H,9H2,1H3,(H,19,22)(H2,18,20,21);2-9H,1H3,(H2,17,22)(H2,18,19,20)
InChIKeyKFGCOZAHQVVXOC-UHFFFAOYSA-N
XLogP10.31
TPSA518.87 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms121
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001623.86
LogP ≤ 510.31
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Analyze 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide (CID 159117305) is 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide is CCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.CNC(=O)C1=C(c2ccccc2)CC(c2ccnc(N)n2)=C1.Cn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.NC(=O)c1cc(-c2ccnc(N)n2)n(CCO)c1-c1ccccc1.NC(=O)c1cc(-c2cnc(N)nc2)n(CCOC2CCCCO2)c1-c1ccccc1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide?
The InChIKey is KFGCOZAHQVVXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3.C17H17N5O2.C17H17N5O.C17H16N4O.C16H15N5O/c23-21(28)17-12-18(16-13-25-22(24)26-14-16)27(20(17)15-6-2-1-3-7-15)9-11-30-19-8-4-5-10-29-19;18-16(24)12-10-14(13-6-7-20-17(19)21-13)22(8-9-23)15(12)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;1-19-16(22)14-10-12(15-7-8-20-17(18)21-15)9-13(14)11-5-3-2-4-6-11;1-21-13(12-7-8-19-16(18)20-12)9-11(15(17)22)14(21)10-5-3-2-4-6-10/h1-3,6-7,12-14,19H,4-5,8-11H2,(H2,23,28)(H2,24,25,26);1-7,10,23H,8-9H2,(H2,18,24)(H2,19,20,21);3-10H,2H2,1H3,(H2,18,23)(H2,19,20,21);2-8,10H,9H2,1H3,(H,19,22)(H2,18,20,21);2-9H,1H3,(H2,17,22)(H2,18,19,20).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide has a molecular weight of 1623.86 g/mol, XLogP of 10.31, 22 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-2-phenylpyrrole-3-carboxamide;4-(2-aminopyrimidin-4-yl)-N-methyl-2-phenylcyclopenta-1,4-diene-1-carboxamide;5-(2-aminopyrimidin-4-yl)-1-methyl-2-phenylpyrrole-3-carboxamide;5-(2-aminopyrimidin-5-yl)-1-[2-(oxan-2-yloxy)ethyl]-2-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 159117305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).