2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane

C67H60ClF3MnN18O5 — CID 159139959

IUPAC2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane
SMILESC.Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCC(=O)c3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCC(O)c3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12.NCC(O)c1c[nH]c2ccccc12.O=[Mn]=O
InChIInChI=1S/C22H19FN6O.C22H17FN6O.C12H8ClFN4.C10H12N2O.CH4.Mn.2O/c2*1-13-8-27-29-21(7-19(28-22(13)29)14-6-15(23)10-24-9-14)26-12-20(30)17-11-25-18-5-3-2-4-16(17)18;1-7-4-16-18-11(13)3-10(17-12(7)18)8-2-9(14)6-15-5-8;11-5-10(13)8-6-12-9-4-2-1-3-7(8)9;;;;/h2-11,20,25-26,30H,12H2,1H3;2-11,25-26H,12H2,1H3;2-6H,1H3;1-4,6,10,12-13H,5,11H2;1H4;;;
InChIKeyBQYVLNVSWUYDEK-UHFFFAOYSA-N
MW1344.72 g/mol
LogP12.33
Rot. Bonds13

About 2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane

2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane (PubChem CID 159139959) has the molecular formula C67H60ClF3MnN18O5 and a molecular weight of 1344.72 g/mol. Its IUPAC name is 2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane.

Molecular Properties

Compound Name2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane
PubChem CID159139959
Molecular FormulaC67H60ClF3MnN18O5
Molecular Weight1344.72 g/mol
Exact Mass1343.40
IUPAC Name2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane
SMILESC.Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCC(=O)c3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCC(O)c3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12.NCC(O)c1c[nH]c2ccccc12.O=[Mn]=O
InChIInChI=1S/C22H19FN6O.C22H17FN6O.C12H8ClFN4.C10H12N2O.CH4.Mn.2O/c2*1-13-8-27-29-21(7-19(28-22(13)29)14-6-15(23)10-24-9-14)26-12-20(30)17-11-25-18-5-3-2-4-16(17)18;1-7-4-16-18-11(13)3-10(17-12(7)18)8-2-9(14)6-15-5-8;11-5-10(13)8-6-12-9-4-2-1-3-7(8)9;;;;/h2-11,20,25-26,30H,12H2,1H3;2-11,25-26H,12H2,1H3;2-6H,1H3;1-4,6,10,12-13H,5,11H2;1H4;;;
InChIKeyBQYVLNVSWUYDEK-UHFFFAOYSA-N
XLogP12.33
TPSA318.36 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms95
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001344.72
LogP ≤ 512.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane?
The IUPAC name of 2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane (CID 159139959) is 2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane.
What is the SMILES notation for 2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane?
The canonical SMILES for 2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane is C.Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCC(=O)c3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCC(O)c3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12.NCC(O)c1c[nH]c2ccccc12.O=[Mn]=O.
What is the InChIKey of 2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane?
The InChIKey is BQYVLNVSWUYDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O.C22H17FN6O.C12H8ClFN4.C10H12N2O.CH4.Mn.2O/c2*1-13-8-27-29-21(7-19(28-22(13)29)14-6-15(23)10-24-9-14)26-12-20(30)17-11-25-18-5-3-2-4-16(17)18;1-7-4-16-18-11(13)3-10(17-12(7)18)8-2-9(14)6-15-5-8;11-5-10(13)8-6-12-9-4-2-1-3-7(8)9;;;;/h2-11,20,25-26,30H,12H2,1H3;2-11,25-26H,12H2,1H3;2-6H,1H3;1-4,6,10,12-13H,5,11H2;1H4;;;.
What are the key properties of 2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane?
2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane has a molecular weight of 1344.72 g/mol, XLogP of 12.33, 13 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1H-indol-3-yl)ethanol;7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;dioxomanganese;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanone;methane is sourced from PubChem (CID 159139959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).