[2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone

C26H25N5O — CID 159888989

IUPAC[2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCc1ncc(-c2cc[nH]c2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C26H25N5O/c1-18-22(14-21(16-29-18)20-10-11-27-15-20)26(32)23-8-5-9-25(30-23)31-13-12-28-24(17-31)19-6-3-2-4-7-19/h2-11,14-16,24,27-28H,12-13,17H2,1H3
InChIKeyIYORDFHEPKHKND-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.16
Rot. Bonds5

About [2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone

[2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone (PubChem CID 159888989) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is [2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
PubChem CID159888989
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name[2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCc1ncc(-c2cc[nH]c2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C26H25N5O/c1-18-22(14-21(16-29-18)20-10-11-27-15-20)26(32)23-8-5-9-25(30-23)31-13-12-28-24(17-31)19-6-3-2-4-7-19/h2-11,14-16,24,27-28H,12-13,17H2,1H3
InChIKeyIYORDFHEPKHKND-UHFFFAOYSA-N
XLogP4.16
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 162085069
(2-methyl-5-thiophen-2-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 161332015
[2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 58207469
(2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 24992175
(2-amino-5-pyridin-4-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 157450285
[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 161243728
[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 160533261
[6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 160802202
(2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 160845215
(2-methyl-5-phenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone
CID 58207561
ethyl 4-[6-[(3S)-3-phenylpiperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 95105244
N-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 53180843

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
The IUPAC name of [2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone (CID 159888989) is [2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for [2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone is Cc1ncc(-c2cc[nH]c2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.
What is the InChIKey of [2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
The InChIKey is IYORDFHEPKHKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-18-22(14-21(16-29-18)20-10-11-27-15-20)26(32)23-8-5-9-25(30-23)31-13-12-28-24(17-31)19-6-3-2-4-7-19/h2-11,14-16,24,27-28H,12-13,17H2,1H3.
What are the key properties of [2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
[2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone has a molecular weight of 423.52 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 159888989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).