[7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone

C28H29FN4O2 — CID 176932128

IUPAC[7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccncc1-c1cc(C(C)C)c(F)c2[nH]c(C(=O)N3CCN(c4ccccc4)CC3)cc12
InChIInChI=1S/C28H29FN4O2/c1-18(2)20-15-21(23-17-30-10-9-25(23)35-3)22-16-24(31-27(22)26(20)29)28(34)33-13-11-32(12-14-33)19-7-5-4-6-8-19/h4-10,15-18,31H,11-14H2,1-3H3
InChIKeyMJAHNPDRYUNWCC-UHFFFAOYSA-N
MW472.56 g/mol
LogP5.46
Rot. Bonds5

About [7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone

[7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 176932128) has the molecular formula C28H29FN4O2 and a molecular weight of 472.56 g/mol. Its IUPAC name is [7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID176932128
Molecular FormulaC28H29FN4O2
Molecular Weight472.56 g/mol
Exact Mass472.23
IUPAC Name[7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccncc1-c1cc(C(C)C)c(F)c2[nH]c(C(=O)N3CCN(c4ccccc4)CC3)cc12
InChIInChI=1S/C28H29FN4O2/c1-18(2)20-15-21(23-17-30-10-9-25(23)35-3)22-16-24(31-27(22)26(20)29)28(34)33-13-11-32(12-14-33)19-7-5-4-6-8-19/h4-10,15-18,31H,11-14H2,1-3H3
InChIKeyMJAHNPDRYUNWCC-UHFFFAOYSA-N
XLogP5.46
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.56
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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
[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
[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
3-[4-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indole-2-carbonyl]piperazin-1-yl]-4-methoxybenzonitrile;molecular hydrogen
CID 177170258
[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
[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
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-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone
CID 176932625
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indole-2-carbaldehyde;3-(4-methylpiperazin-1-yl)phenol
CID 176931745
[7-fluoro-4-(4-methoxyquinolin-3-yl)-6-methyl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 176934179
1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177170726

Frequently Asked Questions

What is the IUPAC name of [7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 176932128) is [7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone is COc1ccncc1-c1cc(C(C)C)c(F)c2[nH]c(C(=O)N3CCN(c4ccccc4)CC3)cc12.
What is the InChIKey of [7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is MJAHNPDRYUNWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O2/c1-18(2)20-15-21(23-17-30-10-9-25(23)35-3)22-16-24(31-27(22)26(20)29)28(34)33-13-11-32(12-14-33)19-7-5-4-6-8-19/h4-10,15-18,31H,11-14H2,1-3H3.
What are the key properties of [7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone?
[7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 472.56 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 176932128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).