[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane

C14H11FIN4OP — CID 171517474

IUPAC[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane
SMILESCOc1cccc(F)c1-c1nccc(-c2cnn(PI)c2)n1
InChIInChI=1S/C14H11FIN4OP/c1-21-12-4-2-3-10(15)13(12)14-17-6-5-11(19-14)9-7-18-20(8-9)22-16/h2-8,22H,1H3
InChIKeyFVPWCDHFDFPMAT-UHFFFAOYSA-N
MW428.15 g/mol
LogP3.95
Rot. Bonds4

About [4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane

[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane (PubChem CID 171517474) has the molecular formula C14H11FIN4OP and a molecular weight of 428.15 g/mol. Its IUPAC name is [4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane.

Molecular Properties

Compound Name[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane
PubChem CID171517474
Molecular FormulaC14H11FIN4OP
Molecular Weight428.15 g/mol
Exact Mass427.97
IUPAC Name[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane
SMILESCOc1cccc(F)c1-c1nccc(-c2cnn(PI)c2)n1
InChIInChI=1S/C14H11FIN4OP/c1-21-12-4-2-3-10(15)13(12)14-17-6-5-11(19-14)9-7-18-20(8-9)22-16/h2-8,22H,1H3
InChIKeyFVPWCDHFDFPMAT-UHFFFAOYSA-N
XLogP3.95
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.15
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 171517471
(1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine
CID 171517345
(3R,5S)-5-(aminomethyl)-1-[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol
CID 171517422
2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 171517278
6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 171517285
2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine
CID 171517360
2-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 59723478
2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine
CID 171517462
[4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane
CID 153348602
2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163
2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 113428315
5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole
CID 65432102

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane?
The IUPAC name of [4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane (CID 171517474) is [4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane.
What is the SMILES notation for [4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane?
The canonical SMILES for [4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane is COc1cccc(F)c1-c1nccc(-c2cnn(PI)c2)n1.
What is the InChIKey of [4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane?
The InChIKey is FVPWCDHFDFPMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FIN4OP/c1-21-12-4-2-3-10(15)13(12)14-17-6-5-11(19-14)9-7-18-20(8-9)22-16/h2-8,22H,1H3.
What are the key properties of [4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane?
[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane has a molecular weight of 428.15 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane is sourced from PubChem (CID 171517474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).