[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one

C63H50Cl5N9O3 — CID 159529082

IUPAC[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(CCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.O=c1[nH]c(CCc2ccc(Cl)cc2)ccc1Cc1c[nH]c2ncccc12.OC(c1ccc(CCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12
InChIInChI=1S/C21H17Cl2N3O.C21H15Cl2N3O.C21H18ClN3O/c2*22-14-6-3-13(4-7-14)5-8-15-9-10-17(20(23)26-15)19(27)18-12-25-21-16(18)2-1-11-24-21;22-17-7-3-14(4-8-17)5-9-18-10-6-15(21(26)25-18)12-16-13-24-20-19(16)2-1-11-23-20/h1-4,6-7,9-12,19,27H,5,8H2,(H,24,25);1-4,6-7,9-12H,5,8H2,(H,24,25);1-4,6-8,10-11,13H,5,9,12H2,(H,23,24)(H,25,26)
InChIKeyMCTJQVUBIPCFPE-UHFFFAOYSA-N
MW1158.42 g/mol
LogP14.69
Rot. Bonds15

About [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one

[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one (PubChem CID 159529082) has the molecular formula C63H50Cl5N9O3 and a molecular weight of 1158.42 g/mol. Its IUPAC name is [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one
PubChem CID159529082
Molecular FormulaC63H50Cl5N9O3
Molecular Weight1158.42 g/mol
Exact Mass1155.25
IUPAC Name[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(CCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.O=c1[nH]c(CCc2ccc(Cl)cc2)ccc1Cc1c[nH]c2ncccc12.OC(c1ccc(CCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12
InChIInChI=1S/C21H17Cl2N3O.C21H15Cl2N3O.C21H18ClN3O/c2*22-14-6-3-13(4-7-14)5-8-15-9-10-17(20(23)26-15)19(27)18-12-25-21-16(18)2-1-11-24-21;22-17-7-3-14(4-8-17)5-9-18-10-6-15(21(26)25-18)12-16-13-24-20-19(16)2-1-11-23-20/h1-4,6-7,9-12,19,27H,5,8H2,(H,24,25);1-4,6-7,9-12H,5,8H2,(H,24,25);1-4,6-8,10-11,13H,5,9,12H2,(H,23,24)(H,25,26)
InChIKeyMCTJQVUBIPCFPE-UHFFFAOYSA-N
XLogP14.69
TPSA181.98 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001158.42
LogP ≤ 514.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one (CID 159529082) is [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one is O=C(c1ccc(CCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.O=c1[nH]c(CCc2ccc(Cl)cc2)ccc1Cc1c[nH]c2ncccc12.OC(c1ccc(CCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.
What is the InChIKey of [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one?
The InChIKey is MCTJQVUBIPCFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O.C21H15Cl2N3O.C21H18ClN3O/c2*22-14-6-3-13(4-7-14)5-8-15-9-10-17(20(23)26-15)19(27)18-12-25-21-16(18)2-1-11-24-21;22-17-7-3-14(4-8-17)5-9-18-10-6-15(21(26)25-18)12-16-13-24-20-19(16)2-1-11-23-20/h1-4,6-7,9-12,19,27H,5,8H2,(H,24,25);1-4,6-7,9-12H,5,8H2,(H,24,25);1-4,6-8,10-11,13H,5,9,12H2,(H,23,24)(H,25,26).
What are the key properties of [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one?
[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one has a molecular weight of 1158.42 g/mol, XLogP of 14.69, 15 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 159529082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).