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

C21H24FN5O3S — CID 151866063

IUPAC1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-ethylazetidin-3-yl)sulfonylurea
SMILESCCN1CC(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)cc(F)cc2C(C)C)C1
InChIInChI=1S/C21H24FN5O3S/c1-4-27-11-17(12-27)31(29,30)26-21(28)25-20-18(13(2)3)8-15(22)9-19(20)14-5-6-24-16(7-14)10-23/h5-9,13,17H,4,11-12H2,1-3H3,(H2,25,26,28)
InChIKeySLRZBJBMNKQHJK-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.04
Rot. Bonds6

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

1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-ethylazetidin-3-yl)sulfonylurea (PubChem CID 151866063) has the molecular formula C21H24FN5O3S and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-ethylazetidin-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-ethylazetidin-3-yl)sulfonylurea
PubChem CID151866063
Molecular FormulaC21H24FN5O3S
Molecular Weight445.52 g/mol
Exact Mass445.16
IUPAC Name1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-ethylazetidin-3-yl)sulfonylurea
SMILESCCN1CC(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)cc(F)cc2C(C)C)C1
InChIInChI=1S/C21H24FN5O3S/c1-4-27-11-17(12-27)31(29,30)26-21(28)25-20-18(13(2)3)8-15(22)9-19(20)14-5-6-24-16(7-14)10-23/h5-9,13,17H,4,11-12H2,1-3H3,(H2,25,26,28)
InChIKeySLRZBJBMNKQHJK-UHFFFAOYSA-N
XLogP3.04
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-ethylazetidin-3-yl)sulfonylurea with MolForge

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Related Compounds

US11021493, Example 106
CID 135125833
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CID 135126403
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CID 135125745
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CID 135125782
US11021493, Example 180
CID 135125902
US20250115591, Example 160
CID 137402547
US20250115591, Example 168
CID 137402570
US20250115591, Example 164
CID 137403804
US11724992, Example 215
CID 146450693
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CID 146450707
US20250115591, Example 172
CID 150939166
US20250115591, Example 175
CID 151792765

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-ethylazetidin-3-yl)sulfonylurea?
The IUPAC name of 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-ethylazetidin-3-yl)sulfonylurea (CID 151866063) is 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-ethylazetidin-3-yl)sulfonylurea.
What is the SMILES notation for 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-ethylazetidin-3-yl)sulfonylurea?
The canonical SMILES for 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-ethylazetidin-3-yl)sulfonylurea is CCN1CC(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)cc(F)cc2C(C)C)C1.
What is the InChIKey of 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-ethylazetidin-3-yl)sulfonylurea?
The InChIKey is SLRZBJBMNKQHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O3S/c1-4-27-11-17(12-27)31(29,30)26-21(28)25-20-18(13(2)3)8-15(22)9-19(20)14-5-6-24-16(7-14)10-23/h5-9,13,17H,4,11-12H2,1-3H3,(H2,25,26,28).
What are the key properties of 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-ethylazetidin-3-yl)sulfonylurea?
1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-ethylazetidin-3-yl)sulfonylurea has a molecular weight of 445.52 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-ethylazetidin-3-yl)sulfonylurea is sourced from PubChem (CID 151866063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).