(5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide

C23H23N4O2P — CID 2323007

IUPAC(5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide
SMILESCc1nn(-c2ccccc2)c2c1P(=O)(O)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2
InChIInChI=1S/C23H23N4O2P/c1-15-20-22(27(25-15)16-10-6-5-7-11-16)24-14-19(30(20,28)29)21-23(2,3)17-12-8-9-13-18(17)26(21)4/h5-14H,1-4H3,(H,28,29)/b21-19-
InChIKeyFUFPPTPUGNRTDK-VZCXRCSSSA-N
MW418.44 g/mol
LogP4.43
Rot. Bonds1

About (5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide

(5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide (PubChem CID 2323007) has the molecular formula C23H23N4O2P and a molecular weight of 418.44 g/mol. Its IUPAC name is (5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide.

Molecular Properties

Compound Name(5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide
PubChem CID2323007
Molecular FormulaC23H23N4O2P
Molecular Weight418.44 g/mol
Exact Mass418.16
IUPAC Name(5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide
SMILESCc1nn(-c2ccccc2)c2c1P(=O)(O)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2
InChIInChI=1S/C23H23N4O2P/c1-15-20-22(27(25-15)16-10-6-5-7-11-16)24-14-19(30(20,28)29)21-23(2,3)17-12-8-9-13-18(17)26(21)4/h5-14H,1-4H3,(H,28,29)/b21-19-
InChIKeyFUFPPTPUGNRTDK-VZCXRCSSSA-N
XLogP4.43
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5Z)-3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-4-sulfanylidene-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinin-1-yl]propanenitrile
CID 6001992
3-[3-methyl-5-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]pyrazol-1-yl]propanenitrile
CID 9568132
3-[3-methyl-5-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]pyrazol-1-yl]propanenitrile
CID 44601715
(5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide
CID 2323006
(5E)-3-methyl-4-morpholin-4-yl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide
CID 5669274
3-[(5Z)-3-methyl-4-oxo-4-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinin-1-yl]propanenitrile
CID 18775709
3-[3-methyl-5-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]pyrazol-1-yl]propanenitrile
CID 2322799
3-[3-methyl-5-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]pyrazol-1-yl]propanenitrile
CID 2322800
1-Hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
CID 4524410
3-(2-Fluorophenyl)-1-hydroxy-2,7-dimethyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
CID 2324543
3-[4-(4-Fluorophenyl)imino-3-methyl-4-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinin-1-yl]propanenitrile
CID 3526836
3-[(5Z)-4-(4-fluorophenyl)imino-3-methyl-4-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinin-1-yl]propanenitrile
CID 5851966

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide?
The IUPAC name of (5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide (CID 2323007) is (5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide.
What is the SMILES notation for (5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide?
The canonical SMILES for (5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide is Cc1nn(-c2ccccc2)c2c1P(=O)(O)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2.
What is the InChIKey of (5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide?
The InChIKey is FUFPPTPUGNRTDK-VZCXRCSSSA-N. The full InChI is InChI=1S/C23H23N4O2P/c1-15-20-22(27(25-15)16-10-6-5-7-11-16)24-14-19(30(20,28)29)21-23(2,3)17-12-8-9-13-18(17)26(21)4/h5-14H,1-4H3,(H,28,29)/b21-19-.
What are the key properties of (5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide?
(5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide has a molecular weight of 418.44 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide is sourced from PubChem (CID 2323007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).