4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde

C72H83Cl3F3IN12O2Si — CID 158007196

IUPAC4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.CC/N=C(/C=C(N)CCc1ccc(F)cc1)C(O)c1c[nH]c2ncc(Cl)cc12.CC/N=C(\C=C(N)CCc1ccc(F)cc1)Cc1c[nH]c2ncc(Cl)cc12.CCn1nc(CCc2ccc(F)cc2)cc1C=O
InChIInChI=1S/C21H22ClFN4O.C21H22ClFN4.C16H24ClIN2Si.C14H15FN2O/c1-2-25-19(10-16(24)8-5-13-3-6-15(23)7-4-13)20(28)18-12-27-21-17(18)9-14(22)11-26-21;1-2-25-19(9-15-12-26-21-20(15)10-16(22)13-27-21)11-18(24)8-5-14-3-6-17(23)7-4-14;1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20;1-2-17-14(10-18)9-13(16-17)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,9-12,20,28H,2,5,8,24H2,1H3,(H,26,27);3-4,6-7,10-13H,2,5,8-9,24H2,1H3,(H,26,27);7-12H,1-6H3;3-4,6-7,9-10H,2,5,8H2,1H3/b16-10?,25-19-;18-11?,25-19-;;
InChIKeyKFPSTMKFNWCSAA-SAZXGIKRSA-N
MW1466.88 g/mol
LogP18.12
Rot. Bonds23

About 4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde

4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde (PubChem CID 158007196) has the molecular formula C72H83Cl3F3IN12O2Si and a molecular weight of 1466.88 g/mol. Its IUPAC name is 4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde
PubChem CID158007196
Molecular FormulaC72H83Cl3F3IN12O2Si
Molecular Weight1466.88 g/mol
Exact Mass1464.46
IUPAC Name4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.CC/N=C(/C=C(N)CCc1ccc(F)cc1)C(O)c1c[nH]c2ncc(Cl)cc12.CC/N=C(\C=C(N)CCc1ccc(F)cc1)Cc1c[nH]c2ncc(Cl)cc12.CCn1nc(CCc2ccc(F)cc2)cc1C=O
InChIInChI=1S/C21H22ClFN4O.C21H22ClFN4.C16H24ClIN2Si.C14H15FN2O/c1-2-25-19(10-16(24)8-5-13-3-6-15(23)7-4-13)20(28)18-12-27-21-17(18)9-14(22)11-26-21;1-2-25-19(9-15-12-26-21-20(15)10-16(22)13-27-21)11-18(24)8-5-14-3-6-17(23)7-4-14;1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20;1-2-17-14(10-18)9-13(16-17)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,9-12,20,28H,2,5,8,24H2,1H3,(H,26,27);3-4,6-7,10-13H,2,5,8-9,24H2,1H3,(H,26,27);7-12H,1-6H3;3-4,6-7,9-10H,2,5,8H2,1H3/b16-10?,25-19-;18-11?,25-19-;;
InChIKeyKFPSTMKFNWCSAA-SAZXGIKRSA-N
XLogP18.12
TPSA207.06 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001466.88
LogP ≤ 518.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde with MolForge

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Related Compounds

(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate
CID 157260141
(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate
CID 157689310
3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-[5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;(5-fluoro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
CID 157789881
[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;methane
CID 158575453
3-Chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate
CID 158935497
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
3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate
CID 159270472
4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-one;5-chloro-1H-pyrrolo[2,3-b]pyridine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde
CID 159284848
5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]methanone;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde
CID 159351379
[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 159883887
(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine
CID 159915951
(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazol-5-yl]methanol;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine;1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde
CID 160309655

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde?
The IUPAC name of 4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde (CID 158007196) is 4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde.
What is the SMILES notation for 4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde?
The canonical SMILES for 4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde is CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.CC/N=C(/C=C(N)CCc1ccc(F)cc1)C(O)c1c[nH]c2ncc(Cl)cc12.CC/N=C(\C=C(N)CCc1ccc(F)cc1)Cc1c[nH]c2ncc(Cl)cc12.CCn1nc(CCc2ccc(F)cc2)cc1C=O.
What is the InChIKey of 4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde?
The InChIKey is KFPSTMKFNWCSAA-SAZXGIKRSA-N. The full InChI is InChI=1S/C21H22ClFN4O.C21H22ClFN4.C16H24ClIN2Si.C14H15FN2O/c1-2-25-19(10-16(24)8-5-13-3-6-15(23)7-4-13)20(28)18-12-27-21-17(18)9-14(22)11-26-21;1-2-25-19(9-15-12-26-21-20(15)10-16(22)13-27-21)11-18(24)8-5-14-3-6-17(23)7-4-14;1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20;1-2-17-14(10-18)9-13(16-17)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,9-12,20,28H,2,5,8,24H2,1H3,(H,26,27);3-4,6-7,10-13H,2,5,8-9,24H2,1H3,(H,26,27);7-12H,1-6H3;3-4,6-7,9-10H,2,5,8H2,1H3/b16-10?,25-19-;18-11?,25-19-;;.
What are the key properties of 4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde?
4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde has a molecular weight of 1466.88 g/mol, XLogP of 18.12, 23 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-ethylimino-6-(4-fluorophenyl)hex-3-en-1-ol;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylimino-1-(4-fluorophenyl)hex-3-en-3-amine;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde is sourced from PubChem (CID 158007196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).