[7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone

C30H32FN5O3 — CID 176932625

IUPAC[7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1-c1cc(C)c(F)c2[nH]c(C(=O)N3CCN(c4cccc(N5CCOCC5)n4)CC3)cc12
InChIInChI=1S/C30H32FN5O3/c1-20-18-22(21-6-3-4-7-25(21)38-2)23-19-24(32-29(23)28(20)31)30(37)36-12-10-34(11-13-36)26-8-5-9-27(33-26)35-14-16-39-17-15-35/h3-9,18-19,32H,10-17H2,1-2H3
InChIKeyYDAZVVIDPNWSBV-UHFFFAOYSA-N
MW529.62 g/mol
LogP4.49
Rot. Bonds5

About [7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone

[7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 176932625) has the molecular formula C30H32FN5O3 and a molecular weight of 529.62 g/mol. Its IUPAC name is [7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID176932625
Molecular FormulaC30H32FN5O3
Molecular Weight529.62 g/mol
Exact Mass529.25
IUPAC Name[7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1-c1cc(C)c(F)c2[nH]c(C(=O)N3CCN(c4cccc(N5CCOCC5)n4)CC3)cc12
InChIInChI=1S/C30H32FN5O3/c1-20-18-22(21-6-3-4-7-25(21)38-2)23-19-24(32-29(23)28(20)31)30(37)36-12-10-34(11-13-36)26-8-5-9-27(33-26)35-14-16-39-17-15-35/h3-9,18-19,32H,10-17H2,1-2H3
InChIKeyYDAZVVIDPNWSBV-UHFFFAOYSA-N
XLogP4.49
TPSA73.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[7-fluoro-4-(4-methoxyquinolin-3-yl)-6-methyl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 176934179
[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen
CID 177169937
[4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone
CID 176933837
5-[4-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indole-2-carbonyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 176933771
[7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 177170958
[7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 176932128
[4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 176932345
3-[4-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indole-2-carbonyl]piperazin-1-yl]-4-methoxybenzonitrile;molecular hydrogen
CID 177170258
[7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 176811382
1-[5-[7-fluoro-2-[4-(3-methoxy-6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177171051
6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one
CID 177172217
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167

Frequently Asked Questions

What is the IUPAC name of [7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone (CID 176932625) is [7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone is COc1ccccc1-c1cc(C)c(F)c2[nH]c(C(=O)N3CCN(c4cccc(N5CCOCC5)n4)CC3)cc12.
What is the InChIKey of [7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is YDAZVVIDPNWSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O3/c1-20-18-22(21-6-3-4-7-25(21)38-2)23-19-24(32-29(23)28(20)31)30(37)36-12-10-34(11-13-36)26-8-5-9-27(33-26)35-14-16-39-17-15-35/h3-9,18-19,32H,10-17H2,1-2H3.
What are the key properties of [7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone?
[7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 529.62 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 176932625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).