[6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone

C25H22ClN3O4 — CID 137000426

IUPAC[6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2c(O)[nH]c3cc(Cl)c(-c4ccc(N5CCOCC5)cc4)cc23)nc1
InChIInChI=1S/C25H22ClN3O4/c1-32-17-6-7-21(27-14-17)24(30)23-19-12-18(20(26)13-22(19)28-25(23)31)15-2-4-16(5-3-15)29-8-10-33-11-9-29/h2-7,12-14,28,31H,8-11H2,1H3
InChIKeyLSNAUTIUTCDWRQ-UHFFFAOYSA-N
MW463.92 g/mol
LogP4.67
Rot. Bonds5

About [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone

[6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone (PubChem CID 137000426) has the molecular formula C25H22ClN3O4 and a molecular weight of 463.92 g/mol. Its IUPAC name is [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone
PubChem CID137000426
Molecular FormulaC25H22ClN3O4
Molecular Weight463.92 g/mol
Exact Mass463.13
IUPAC Name[6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2c(O)[nH]c3cc(Cl)c(-c4ccc(N5CCOCC5)cc4)cc23)nc1
InChIInChI=1S/C25H22ClN3O4/c1-32-17-6-7-21(27-14-17)24(30)23-19-12-18(20(26)13-22(19)28-25(23)31)15-2-4-16(5-3-15)29-8-10-33-11-9-29/h2-7,12-14,28,31H,8-11H2,1H3
InChIKeyLSNAUTIUTCDWRQ-UHFFFAOYSA-N
XLogP4.67
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.92
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone?
The IUPAC name of [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone (CID 137000426) is [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone?
The canonical SMILES for [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone is COc1ccc(C(=O)c2c(O)[nH]c3cc(Cl)c(-c4ccc(N5CCOCC5)cc4)cc23)nc1.
What is the InChIKey of [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone?
The InChIKey is LSNAUTIUTCDWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O4/c1-32-17-6-7-21(27-14-17)24(30)23-19-12-18(20(26)13-22(19)28-25(23)31)15-2-4-16(5-3-15)29-8-10-33-11-9-29/h2-7,12-14,28,31H,8-11H2,1H3.
What are the key properties of [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone?
[6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone has a molecular weight of 463.92 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 137000426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).