(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

C54H58Cl5IN12OSi — CID 159915951

IUPAC(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
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.Cn1nc(NCc2cccc(Cl)c2)cc1C(O)c1c[nH]c2ncc(Cl)cc12.Cn1nc(NCc2cccc(Cl)c2)cc1Cc1c[nH]c2ncc(Cl)cc12
InChIInChI=1S/C19H17Cl2N5O.C19H17Cl2N5.C16H24ClIN2Si/c1-26-16(7-17(25-26)22-8-11-3-2-4-12(20)5-11)18(27)15-10-24-19-14(15)6-13(21)9-23-19;1-26-16(6-13-10-23-19-17(13)7-15(21)11-24-19)8-18(25-26)22-9-12-3-2-4-14(20)5-12;1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20/h2-7,9-10,18,27H,8H2,1H3,(H,22,25)(H,23,24);2-5,7-8,10-11H,6,9H2,1H3,(H,22,25)(H,23,24);7-12H,1-6H3
InChIKeyNXTXNEZJAKKMQP-UHFFFAOYSA-N
MW1223.40 g/mol
LogP15.42
Rot. Bonds14

About (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

(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 (PubChem CID 159915951) has the molecular formula C54H58Cl5IN12OSi and a molecular weight of 1223.40 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159915951
Molecular FormulaC54H58Cl5IN12OSi
Molecular Weight1223.40 g/mol
Exact Mass1220.21
IUPAC Name(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
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.Cn1nc(NCc2cccc(Cl)c2)cc1C(O)c1c[nH]c2ncc(Cl)cc12.Cn1nc(NCc2cccc(Cl)c2)cc1Cc1c[nH]c2ncc(Cl)cc12
InChIInChI=1S/C19H17Cl2N5O.C19H17Cl2N5.C16H24ClIN2Si/c1-26-16(7-17(25-26)22-8-11-3-2-4-12(20)5-11)18(27)15-10-24-19-14(15)6-13(21)9-23-19;1-26-16(6-13-10-23-19-17(13)7-15(21)11-24-19)8-18(25-26)22-9-12-3-2-4-14(20)5-12;1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20/h2-7,9-10,18,27H,8H2,1H3,(H,22,25)(H,23,24);2-5,7-8,10-11H,6,9H2,1H3,(H,22,25)(H,23,24);7-12H,1-6H3
InChIKeyNXTXNEZJAKKMQP-UHFFFAOYSA-N
XLogP15.42
TPSA155.11 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001223.40
LogP ≤ 515.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-ethyl-5-(4-fluoro-benzylamino)-2H-pyrazol-3-yl]-methanol
CID 57619398
[5-(3-chloro-benzylamino)-2-methyl-2H-pyrazol-3-yl]-(5-fluoro-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-methanol
CID 58259270
(5-Chloro-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-ethyl-5-(4-fluoro-benzylamino)-2H-pyrazol-3-yl]-methanol
CID 66970959
[5-chloro-4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-[1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazol-5-yl]methanol
CID 90708891
[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 57619213
[5-(3-chloro-benzylamino)-2-methyl-2H-pyrazol-3-yl]-(5-chloro-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-methanol
CID 66971157
[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-[5-chloro-4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 91093828
(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
1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine
CID 157689344
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
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.Cn1nc(NCc2cccc(Cl)c2)cc1C(O)c1c[nH]c2ncc(Cl)cc12.Cn1nc(NCc2cccc(Cl)c2)cc1Cc1c[nH]c2ncc(Cl)cc12.
What is the InChIKey of (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?
The InChIKey is NXTXNEZJAKKMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O.C19H17Cl2N5.C16H24ClIN2Si/c1-26-16(7-17(25-26)22-8-11-3-2-4-12(20)5-11)18(27)15-10-24-19-14(15)6-13(21)9-23-19;1-26-16(6-13-10-23-19-17(13)7-15(21)11-24-19)8-18(25-26)22-9-12-3-2-4-14(20)5-12;1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20/h2-7,9-10,18,27H,8H2,1H3,(H,22,25)(H,23,24);2-5,7-8,10-11H,6,9H2,1H3,(H,22,25)(H,23,24);7-12H,1-6H3.
What are the key properties of (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?
(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 has a molecular weight of 1223.40 g/mol, XLogP of 15.42, 14 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159915951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).