methyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium

C24H27N5OP+ — CID 91377064

IUPACmethyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium
SMILESC=[P+](C)c1ccc(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)cc1
InChIInChI=1S/C24H27N5OP/c1-31(2)22-5-3-18(4-6-22)17-30-29-12-9-23-24(29)13-19(14-26-23)20-15-27-28(16-20)21-7-10-25-11-8-21/h3-6,9,12-16,21,25H,1,7-8,10-11,17H2,2H3/q+1
InChIKeyHYSJKBUZPXIOPJ-UHFFFAOYSA-N
MW432.49 g/mol
LogP3.62
Rot. Bonds6

About methyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium

methyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium (PubChem CID 91377064) has the molecular formula C24H27N5OP+ and a molecular weight of 432.49 g/mol. Its IUPAC name is methyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium.

Molecular Properties

Compound Namemethyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium
PubChem CID91377064
Molecular FormulaC24H27N5OP+
Molecular Weight432.49 g/mol
Exact Mass432.19
IUPAC Namemethyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium
SMILESC=[P+](C)c1ccc(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)cc1
InChIInChI=1S/C24H27N5OP/c1-31(2)22-5-3-18(4-6-22)17-30-29-12-9-23-24(29)13-19(14-26-23)20-15-27-28(16-20)21-7-10-25-11-8-21/h3-6,9,12-16,21,25H,1,7-8,10-11,17H2,2H3/q+1
InChIKeyHYSJKBUZPXIOPJ-UHFFFAOYSA-N
XLogP3.62
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine
CID 58532301
1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532470
1-[(2-nitrophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532306
1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole
CID 91027344
6-(1-methylpyrazol-4-yl)-1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;hydrochloride
CID 158564904
4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride
CID 163407511
3-[(2-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 162656396
[4-(phenoxymethyl)phenyl]-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 122183116
3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine
CID 175975741
1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium
CID 142755352
7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride
CID 118497502
methyl 2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxylate
CID 67388698

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium?
The IUPAC name of methyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium (CID 91377064) is methyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium.
What is the SMILES notation for methyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium?
The canonical SMILES for methyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium is C=[P+](C)c1ccc(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)cc1.
What is the InChIKey of methyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium?
The InChIKey is HYSJKBUZPXIOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OP/c1-31(2)22-5-3-18(4-6-22)17-30-29-12-9-23-24(29)13-19(14-26-23)20-15-27-28(16-20)21-7-10-25-11-8-21/h3-6,9,12-16,21,25H,1,7-8,10-11,17H2,2H3/q+1.
What are the key properties of methyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium?
methyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium has a molecular weight of 432.49 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium is sourced from PubChem (CID 91377064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).