1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea

C20H25FN4O4S — CID 10071699

IUPAC1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(F)cc(O[C@H]3CCN(S(=O)(=O)C(C)C)C3)c2)cn1
InChIInChI=1S/C20H25FN4O4S/c1-13(2)30(27,28)25-7-6-18(12-25)29-19-9-15(21)8-17(10-19)24-20(26)23-16-5-4-14(3)22-11-16/h4-5,8-11,13,18H,6-7,12H2,1-3H3,(H2,23,24,26)/t18-/m0/s1
InChIKeyXDBUAHXAWBCBBT-SFHVURJKSA-N
MW436.51 g/mol
LogP3.36
Rot. Bonds6

About 1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea

1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea (PubChem CID 10071699) has the molecular formula C20H25FN4O4S and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea
PubChem CID10071699
Molecular FormulaC20H25FN4O4S
Molecular Weight436.51 g/mol
Exact Mass436.16
IUPAC Name1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(F)cc(O[C@H]3CCN(S(=O)(=O)C(C)C)C3)c2)cn1
InChIInChI=1S/C20H25FN4O4S/c1-13(2)30(27,28)25-7-6-18(12-25)29-19-9-15(21)8-17(10-19)24-20(26)23-16-5-4-14(3)22-11-16/h4-5,8-11,13,18H,6-7,12H2,1-3H3,(H2,23,24,26)/t18-/m0/s1
InChIKeyXDBUAHXAWBCBBT-SFHVURJKSA-N
XLogP3.36
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea (CID 10071699) is 1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea is Cc1ccc(NC(=O)Nc2cc(F)cc(O[C@H]3CCN(S(=O)(=O)C(C)C)C3)c2)cn1.
What is the InChIKey of 1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is XDBUAHXAWBCBBT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25FN4O4S/c1-13(2)30(27,28)25-7-6-18(12-25)29-19-9-15(21)8-17(10-19)24-20(26)23-16-5-4-14(3)22-11-16/h4-5,8-11,13,18H,6-7,12H2,1-3H3,(H2,23,24,26)/t18-/m0/s1.
What are the key properties of 1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea?
1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea has a molecular weight of 436.51 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[(3S)-1-propan-2-ylsulfonylpyrrolidin-3-yl]oxyphenyl]-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 10071699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).