[4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone

C27H29N5O2 — CID 71431492

IUPAC[4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCCc1cc(-c2ccccc2)nc(N2CCN(C(=O)c3cc4cc(OC)ccc4[nH]3)CC2)c1N
InChIInChI=1S/C27H29N5O2/c1-3-18-16-23(19-7-5-4-6-8-19)30-26(25(18)28)31-11-13-32(14-12-31)27(33)24-17-20-15-21(34-2)9-10-22(20)29-24/h4-10,15-17,29H,3,11-14,28H2,1-2H3
InChIKeyBTJPPJCANBEMMG-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.35
Rot. Bonds5

About [4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone

[4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 71431492) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is [4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID71431492
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name[4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCCc1cc(-c2ccccc2)nc(N2CCN(C(=O)c3cc4cc(OC)ccc4[nH]3)CC2)c1N
InChIInChI=1S/C27H29N5O2/c1-3-18-16-23(19-7-5-4-6-8-19)30-26(25(18)28)31-11-13-32(14-12-31)27(33)24-17-20-15-21(34-2)9-10-22(20)29-24/h4-10,15-17,29H,3,11-14,28H2,1-2H3
InChIKeyBTJPPJCANBEMMG-UHFFFAOYSA-N
XLogP4.35
TPSA87.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone with MolForge

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Related Compounds

1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121060220
(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013228
(6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537116
(4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone
CID 71295856
(3,4-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013211
4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332367
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
CID 95826190
(5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 67867873
[4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 1279407
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide
CID 71116278
(6-methoxy-1H-indol-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38488127

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone (CID 71431492) is [4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone is CCc1cc(-c2ccccc2)nc(N2CCN(C(=O)c3cc4cc(OC)ccc4[nH]3)CC2)c1N.
What is the InChIKey of [4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is BTJPPJCANBEMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-3-18-16-23(19-7-5-4-6-8-19)30-26(25(18)28)31-11-13-32(14-12-31)27(33)24-17-20-15-21(34-2)9-10-22(20)29-24/h4-10,15-17,29H,3,11-14,28H2,1-2H3.
What are the key properties of [4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
[4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 455.56 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 71431492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).