1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

C22H26FN5O3S — CID 149337911

IUPAC1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
SMILESCc1ccncc1-c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C22H26FN5O3S/c1-13(2)17-10-16(23)11-18(19-12-24-8-6-15(19)5)21(17)25-22(29)27-32(30,31)20-7-9-28(26-20)14(3)4/h6-14H,1-5H3,(H2,25,27,29)
InChIKeyYDPJKLPQOGWLOE-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.61
Rot. Bonds6

About 1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (PubChem CID 149337911) has the molecular formula C22H26FN5O3S and a molecular weight of 459.55 g/mol. Its IUPAC name is 1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
PubChem CID149337911
Molecular FormulaC22H26FN5O3S
Molecular Weight459.55 g/mol
Exact Mass459.17
IUPAC Name1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
SMILESCc1ccncc1-c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C22H26FN5O3S/c1-13(2)17-10-16(23)11-18(19-12-24-8-6-15(19)5)21(17)25-22(29)27-32(30,31)20-7-9-28(26-20)14(3)4/h6-14H,1-5H3,(H2,25,27,29)
InChIKeyYDPJKLPQOGWLOE-UHFFFAOYSA-N
XLogP4.61
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The IUPAC name of 1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (CID 149337911) is 1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.
What is the SMILES notation for 1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The canonical SMILES for 1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is Cc1ccncc1-c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.
What is the InChIKey of 1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The InChIKey is YDPJKLPQOGWLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O3S/c1-13(2)17-10-16(23)11-18(19-12-24-8-6-15(19)5)21(17)25-22(29)27-32(30,31)20-7-9-28(26-20)14(3)4/h6-14H,1-5H3,(H2,25,27,29).
What are the key properties of 1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea has a molecular weight of 459.55 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is sourced from PubChem (CID 149337911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).