[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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Related Compounds

[6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone
CID 137000373
[6-chloro-2-hydroxy-5-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 137000312
[6-chloro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(6-methoxy-3-pyridinyl)methanone
CID 137000331
[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 136963003
N-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide
CID 118243507
[6-chloro-2-hydroxy-5-[4-(3-hydroxypyrrolidin-1-yl)phenyl]-1H-indol-3-yl]-(1-methylindol-5-yl)methanone
CID 137000390
4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]cyclohexane-1-carboxylic acid
CID 118243514
(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile
CID 144691100
[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184633
4-[4-[6-chloro-2-hydroxy-3-(3-methoxy-1,2-oxazole-5-carbonyl)-1H-indol-5-yl]phenyl]cyclohex-3-ene-1-carboxylic acid
CID 137000338
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184851

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).