(6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone

C25H29ClF2N4O2 — CID 176811240

IUPAC(6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCCCCCCc1cc(Cl)c(F)c2[nH]c(C(=O)N3CCN(c4ncc(F)cc4OC)CC3)cc12
InChIInChI=1S/C25H29ClF2N4O2/c1-3-4-5-6-7-16-12-19(26)22(28)23-18(16)14-20(30-23)25(33)32-10-8-31(9-11-32)24-21(34-2)13-17(27)15-29-24/h12-15,30H,3-11H2,1-2H3
InChIKeyIHLOVMYRTOMDJX-UHFFFAOYSA-N
MW490.98 g/mol
LogP5.59
Rot. Bonds8

About (6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone

(6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 176811240) has the molecular formula C25H29ClF2N4O2 and a molecular weight of 490.98 g/mol. Its IUPAC name is (6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID176811240
Molecular FormulaC25H29ClF2N4O2
Molecular Weight490.98 g/mol
Exact Mass490.19
IUPAC Name(6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCCCCCCc1cc(Cl)c(F)c2[nH]c(C(=O)N3CCN(c4ncc(F)cc4OC)CC3)cc12
InChIInChI=1S/C25H29ClF2N4O2/c1-3-4-5-6-7-16-12-19(26)22(28)23-18(16)14-20(30-23)25(33)32-10-8-31(9-11-32)24-21(34-2)13-17(27)15-29-24/h12-15,30H,3-11H2,1-2H3
InChIKeyIHLOVMYRTOMDJX-UHFFFAOYSA-N
XLogP5.59
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.98
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-propyl-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177170178
tert-butyl 5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 176811162
[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
1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(2-propoxy-3-pyridinyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177170414
1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(1,2-dihydrotriazol-3-yl)propan-1-one
CID 177171109
[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-methoxyquinolin-3-yl)-6-methyl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 176934179
1-[5-[4-[(3S)-4-ethyl-1-methylpyrrolidin-3-yl]-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177170284
1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177170837
1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 176811600
1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(3-methylphenyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177171600
[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

Frequently Asked Questions

What is the IUPAC name of (6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone (CID 176811240) is (6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone is CCCCCCc1cc(Cl)c(F)c2[nH]c(C(=O)N3CCN(c4ncc(F)cc4OC)CC3)cc12.
What is the InChIKey of (6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is IHLOVMYRTOMDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClF2N4O2/c1-3-4-5-6-7-16-12-19(26)22(28)23-18(16)14-20(30-23)25(33)32-10-8-31(9-11-32)24-21(34-2)13-17(27)15-29-24/h12-15,30H,3-11H2,1-2H3.
What are the key properties of (6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
(6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 490.98 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 176811240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).