1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine

C137H114Cl3N29O7 — CID 160958226

IUPAC1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine
SMILESNc1nccc(-n2ccc3c(C(=O)NCc4ccccc4Cl)cccc32)n1.Nc1nccc(-n2ccc3c(OCc4cccc(Cl)c4)cccc32)n1.Nc1nccc(-n2ccc3c(OCc4ccccc4Cl)cccc32)n1.Nc1nccc(-n2ccc3cc(OCCc4ccccc4)ccc32)n1.Nc1nccc(-n2ccc3ccc(OCc4ccccc4)cc32)n1.Nc1nccc(-n2ccc3cccc(OCc4ccccc4)c32)n1.c1ccc(COc2cccc3c2CCN3c2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C21H18N4O.C20H16ClN5O.C20H18N4O.2C19H15ClN4O.2C19H16N4O/c1-2-5-15(6-3-1)13-26-19-8-4-7-18-16(19)10-12-25(18)21-17-9-11-22-20(17)23-14-24-21;21-16-6-2-1-4-13(16)12-24-19(27)15-5-3-7-17-14(15)9-11-26(17)18-8-10-23-20(22)25-18;21-20-22-11-8-19(23-20)24-12-9-16-14-17(6-7-18(16)24)25-13-10-15-4-2-1-3-5-15;20-14-4-1-3-13(11-14)12-25-17-6-2-5-16-15(17)8-10-24(16)18-7-9-22-19(21)23-18;20-15-5-2-1-4-13(15)12-25-17-7-3-6-16-14(17)9-11-24(16)18-8-10-22-19(21)23-18;20-19-21-11-9-17(22-19)23-12-10-15-7-4-8-16(18(15)23)24-13-14-5-2-1-3-6-14;20-19-21-10-8-18(22-19)23-11-9-15-6-7-16(12-17(15)23)24-13-14-4-2-1-3-5-14/h1-9,11,14H,10,12-13H2,(H,22,23,24);1-11H,12H2,(H,24,27)(H2,22,23,25);1-9,11-12,14H,10,13H2,(H2,21,22,23);2*1-11H,12H2,(H2,21,22,23);2*1-12H,13H2,(H2,20,21,22)
InChIKeySWRGGXZZWRBWEM-UHFFFAOYSA-N
MW2384.97 g/mol
LogP27.08
Rot. Bonds29

About 1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine

1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine (PubChem CID 160958226) has the molecular formula C137H114Cl3N29O7 and a molecular weight of 2384.97 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine
PubChem CID160958226
Molecular FormulaC137H114Cl3N29O7
Molecular Weight2384.97 g/mol
Exact Mass2381.85
IUPAC Name1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine
SMILESNc1nccc(-n2ccc3c(C(=O)NCc4ccccc4Cl)cccc32)n1.Nc1nccc(-n2ccc3c(OCc4cccc(Cl)c4)cccc32)n1.Nc1nccc(-n2ccc3c(OCc4ccccc4Cl)cccc32)n1.Nc1nccc(-n2ccc3cc(OCCc4ccccc4)ccc32)n1.Nc1nccc(-n2ccc3ccc(OCc4ccccc4)cc32)n1.Nc1nccc(-n2ccc3cccc(OCc4ccccc4)c32)n1.c1ccc(COc2cccc3c2CCN3c2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C21H18N4O.C20H16ClN5O.C20H18N4O.2C19H15ClN4O.2C19H16N4O/c1-2-5-15(6-3-1)13-26-19-8-4-7-18-16(19)10-12-25(18)21-17-9-11-22-20(17)23-14-24-21;21-16-6-2-1-4-13(16)12-24-19(27)15-5-3-7-17-14(15)9-11-26(17)18-8-10-23-20(22)25-18;21-20-22-11-8-19(23-20)24-12-9-16-14-17(6-7-18(16)24)25-13-10-15-4-2-1-3-5-15;20-14-4-1-3-13(11-14)12-25-17-6-2-5-16-15(17)8-10-24(16)18-7-9-22-19(21)23-18;20-15-5-2-1-4-13(15)12-25-17-7-3-6-16-14(17)9-11-24(16)18-8-10-22-19(21)23-18;20-19-21-11-9-17(22-19)23-12-10-15-7-4-8-16(18(15)23)24-13-14-5-2-1-3-6-14;20-19-21-10-8-18(22-19)23-11-9-15-6-7-16(12-17(15)23)24-13-14-4-2-1-3-5-14/h1-9,11,14H,10,12-13H2,(H,22,23,24);1-11H,12H2,(H,24,27)(H2,22,23,25);1-9,11-12,14H,10,13H2,(H2,21,22,23);2*1-11H,12H2,(H2,21,22,23);2*1-12H,13H2,(H2,20,21,22)
InChIKeySWRGGXZZWRBWEM-UHFFFAOYSA-N
XLogP27.08
TPSA469.67 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds29
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002384.97
LogP ≤ 527.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze 1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine?
The IUPAC name of 1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine (CID 160958226) is 1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine is Nc1nccc(-n2ccc3c(C(=O)NCc4ccccc4Cl)cccc32)n1.Nc1nccc(-n2ccc3c(OCc4cccc(Cl)c4)cccc32)n1.Nc1nccc(-n2ccc3c(OCc4ccccc4Cl)cccc32)n1.Nc1nccc(-n2ccc3cc(OCCc4ccccc4)ccc32)n1.Nc1nccc(-n2ccc3ccc(OCc4ccccc4)cc32)n1.Nc1nccc(-n2ccc3cccc(OCc4ccccc4)c32)n1.c1ccc(COc2cccc3c2CCN3c2ncnc3[nH]ccc23)cc1.
What is the InChIKey of 1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine?
The InChIKey is SWRGGXZZWRBWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O.C20H16ClN5O.C20H18N4O.2C19H15ClN4O.2C19H16N4O/c1-2-5-15(6-3-1)13-26-19-8-4-7-18-16(19)10-12-25(18)21-17-9-11-22-20(17)23-14-24-21;21-16-6-2-1-4-13(16)12-24-19(27)15-5-3-7-17-14(15)9-11-26(17)18-8-10-23-20(22)25-18;21-20-22-11-8-19(23-20)24-12-9-16-14-17(6-7-18(16)24)25-13-10-15-4-2-1-3-5-15;20-14-4-1-3-13(11-14)12-25-17-6-2-5-16-15(17)8-10-24(16)18-7-9-22-19(21)23-18;20-15-5-2-1-4-13(15)12-25-17-7-3-6-16-14(17)9-11-24(16)18-8-10-22-19(21)23-18;20-19-21-11-9-17(22-19)23-12-10-15-7-4-8-16(18(15)23)24-13-14-5-2-1-3-6-14;20-19-21-10-8-18(22-19)23-11-9-15-6-7-16(12-17(15)23)24-13-14-4-2-1-3-5-14/h1-9,11,14H,10,12-13H2,(H,22,23,24);1-11H,12H2,(H,24,27)(H2,22,23,25);1-9,11-12,14H,10,13H2,(H2,21,22,23);2*1-11H,12H2,(H2,21,22,23);2*1-12H,13H2,(H2,20,21,22).
What are the key properties of 1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine?
1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine has a molecular weight of 2384.97 g/mol, XLogP of 27.08, 29 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;4-[4-[(2-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[4-[(3-chlorophenyl)methoxy]indol-1-yl]pyrimidin-2-amine;4-[5-(2-phenylethoxy)indol-1-yl]pyrimidin-2-amine;4-(4-phenylmethoxy-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(6-phenylmethoxyindol-1-yl)pyrimidin-2-amine;4-(7-phenylmethoxyindol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 160958226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).