sodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol

C55H57Cl3F3N14NaO3 — CID 159452433

IUPACsodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol
SMILESCC(C)O.CC(C)Oc1cc(Cl)nc(-c2cncc(F)c2)n1.CC(C)Oc1cc(NCCc2c[nH]c3cccnc23)nc(-c2cncc(F)c2)n1.Fc1cncc(-c2nc(Cl)cc(Cl)n2)c1.NCCc1c[nH]c2ccccc12.[H-].[Na+]
InChIInChI=1S/C21H21FN6O.C12H11ClFN3O.C10H12N2.C9H4Cl2FN3.C3H8O.Na.H/c1-13(2)29-19-9-18(27-21(28-19)15-8-16(22)12-23-10-15)24-7-5-14-11-26-17-4-3-6-25-20(14)17;1-7(2)18-11-4-10(13)16-12(17-11)8-3-9(14)6-15-5-8;11-6-5-8-7-12-10-4-2-1-3-9(8)10;10-7-2-8(11)15-9(14-7)5-1-6(12)4-13-3-5;1-3(2)4;;/h3-4,6,8-13,26H,5,7H2,1-2H3,(H,24,27,28);3-7H,1-2H3;1-4,7,12H,5-6,11H2;1-4H;3-4H,1-2H3;;/q;;;;;+1;-1
InChIKeyJLMPENANIRCZGE-UHFFFAOYSA-N
MW1148.50 g/mol
LogP9.27
Rot. Bonds13

About sodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol

sodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol (PubChem CID 159452433) has the molecular formula C55H57Cl3F3N14NaO3 and a molecular weight of 1148.50 g/mol. Its IUPAC name is sodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol.

Molecular Properties

Compound Namesodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol
PubChem CID159452433
Molecular FormulaC55H57Cl3F3N14NaO3
Molecular Weight1148.50 g/mol
Exact Mass1146.37
IUPAC Namesodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol
SMILESCC(C)O.CC(C)Oc1cc(Cl)nc(-c2cncc(F)c2)n1.CC(C)Oc1cc(NCCc2c[nH]c3cccnc23)nc(-c2cncc(F)c2)n1.Fc1cncc(-c2nc(Cl)cc(Cl)n2)c1.NCCc1c[nH]c2ccccc12.[H-].[Na+]
InChIInChI=1S/C21H21FN6O.C12H11ClFN3O.C10H12N2.C9H4Cl2FN3.C3H8O.Na.H/c1-13(2)29-19-9-18(27-21(28-19)15-8-16(22)12-23-10-15)24-7-5-14-11-26-17-4-3-6-25-20(14)17;1-7(2)18-11-4-10(13)16-12(17-11)8-3-9(14)6-15-5-8;11-6-5-8-7-12-10-4-2-1-3-9(8)10;10-7-2-8(11)15-9(14-7)5-1-6(12)4-13-3-5;1-3(2)4;;/h3-4,6,8-13,26H,5,7H2,1-2H3,(H,24,27,28);3-7H,1-2H3;1-4,7,12H,5-6,11H2;1-4H;3-4H,1-2H3;;/q;;;;;+1;-1
InChIKeyJLMPENANIRCZGE-UHFFFAOYSA-N
XLogP9.27
TPSA237.22 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001148.50
LogP ≤ 59.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze sodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol 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

2-(5-fluoro-3-pyridinyl)-6-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 140944571
6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine
CID 135376643
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 135376472
N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine
CID 5059317
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine
CID 24862955
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 135376297
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 135376641
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 146409716
N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 69184531
6-chloro-N-[2-(1H-indol-3-yl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 87191184
5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 140944634
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-8,8-dimethyl-7H-purino[8,9-b][1,3]thiazol-4-amine
CID 162474601

Frequently Asked Questions

What is the IUPAC name of sodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol?
The IUPAC name of sodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol (CID 159452433) is sodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol.
What is the SMILES notation for sodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol?
The canonical SMILES for sodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol is CC(C)O.CC(C)Oc1cc(Cl)nc(-c2cncc(F)c2)n1.CC(C)Oc1cc(NCCc2c[nH]c3cccnc23)nc(-c2cncc(F)c2)n1.Fc1cncc(-c2nc(Cl)cc(Cl)n2)c1.NCCc1c[nH]c2ccccc12.[H-].[Na+].
What is the InChIKey of sodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol?
The InChIKey is JLMPENANIRCZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O.C12H11ClFN3O.C10H12N2.C9H4Cl2FN3.C3H8O.Na.H/c1-13(2)29-19-9-18(27-21(28-19)15-8-16(22)12-23-10-15)24-7-5-14-11-26-17-4-3-6-25-20(14)17;1-7(2)18-11-4-10(13)16-12(17-11)8-3-9(14)6-15-5-8;11-6-5-8-7-12-10-4-2-1-3-9(8)10;10-7-2-8(11)15-9(14-7)5-1-6(12)4-13-3-5;1-3(2)4;;/h3-4,6,8-13,26H,5,7H2,1-2H3,(H,24,27,28);3-7H,1-2H3;1-4,7,12H,5-6,11H2;1-4H;3-4H,1-2H3;;/q;;;;;+1;-1.
What are the key properties of sodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol?
sodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol has a molecular weight of 1148.50 g/mol, XLogP of 9.27, 13 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-chloro-2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxypyrimidine;4,6-dichloro-2-(5-fluoro-3-pyridinyl)pyrimidine;2-(5-fluoro-3-pyridinyl)-6-propan-2-yloxy-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrimidin-4-amine;hydride;2-(1H-indol-3-yl)ethanamine;propan-2-ol is sourced from PubChem (CID 159452433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).