2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde

C17H24N5OP — CID 145199985

IUPAC2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde
SMILESC/C=C(\PC1C=CC(N2CCNCC2)=CN1C=O)n1cnc(C)c1
InChIInChI=1S/C17H24N5OP/c1-3-16(21-10-14(2)19-12-21)24-17-5-4-15(11-22(17)13-23)20-8-6-18-7-9-20/h3-5,10-13,17-18,24H,6-9H2,1-2H3/b16-3-
InChIKeyLSEFEFNVWUBELH-XFQLMFQHSA-N
MW345.39 g/mol
LogP1.79
Rot. Bonds5

About 2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde

2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde (PubChem CID 145199985) has the molecular formula C17H24N5OP and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde
PubChem CID145199985
Molecular FormulaC17H24N5OP
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde
SMILESC/C=C(\PC1C=CC(N2CCNCC2)=CN1C=O)n1cnc(C)c1
InChIInChI=1S/C17H24N5OP/c1-3-16(21-10-14(2)19-12-21)24-17-5-4-15(11-22(17)13-23)20-8-6-18-7-9-20/h3-5,10-13,17-18,24H,6-9H2,1-2H3/b16-3-
InChIKeyLSEFEFNVWUBELH-XFQLMFQHSA-N
XLogP1.79
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-[(1-methyl-5-piperazin-1-yl-2H-pyridin-2-yl)phosphanyl]prop-2-enal
CID 142362099
5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide
CID 143968972
1-[3-(4-methylimidazol-1-yl)phenyl]piperazine
CID 82513454
1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol
CID 70385382
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid
CID 81232904
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 155943283
1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride
CID 154810154
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane
CID 145233053
2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 177356020

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde?
The IUPAC name of 2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde (CID 145199985) is 2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for 2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde?
The canonical SMILES for 2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde is C/C=C(\PC1C=CC(N2CCNCC2)=CN1C=O)n1cnc(C)c1.
What is the InChIKey of 2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde?
The InChIKey is LSEFEFNVWUBELH-XFQLMFQHSA-N. The full InChI is InChI=1S/C17H24N5OP/c1-3-16(21-10-14(2)19-12-21)24-17-5-4-15(11-22(17)13-23)20-8-6-18-7-9-20/h3-5,10-13,17-18,24H,6-9H2,1-2H3/b16-3-.
What are the key properties of 2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde?
2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde has a molecular weight of 345.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 145199985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).