1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea

C23H24FN5O4S — CID 142529154

IUPAC1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea
SMILESCOC1(c2cc(S(=O)NC(=O)Nc3c(-c4cccnc4)cc(F)c4c3CCC4)nn2C)COC1
InChIInChI=1S/C23H24FN5O4S/c1-29-19(23(32-2)12-33-13-23)10-20(27-29)34(31)28-22(30)26-21-16-7-3-6-15(16)18(24)9-17(21)14-5-4-8-25-11-14/h4-5,8-11H,3,6-7,12-13H2,1-2H3,(H2,26,28,30)
InChIKeyHJTHRBZEAJTTRX-UHFFFAOYSA-N
MW485.54 g/mol
LogP2.83
Rot. Bonds6

About 1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea

1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea (PubChem CID 142529154) has the molecular formula C23H24FN5O4S and a molecular weight of 485.54 g/mol. Its IUPAC name is 1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea.

Molecular Properties

Compound Name1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea
PubChem CID142529154
Molecular FormulaC23H24FN5O4S
Molecular Weight485.54 g/mol
Exact Mass485.15
IUPAC Name1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea
SMILESCOC1(c2cc(S(=O)NC(=O)Nc3c(-c4cccnc4)cc(F)c4c3CCC4)nn2C)COC1
InChIInChI=1S/C23H24FN5O4S/c1-29-19(23(32-2)12-33-13-23)10-20(27-29)34(31)28-22(30)26-21-16-7-3-6-15(16)18(24)9-17(21)14-5-4-8-25-11-14/h4-5,8-11H,3,6-7,12-13H2,1-2H3,(H2,26,28,30)
InChIKeyHJTHRBZEAJTTRX-UHFFFAOYSA-N
XLogP2.83
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137509693
16-Fluoro-14,14-dioxo-21-oxa-14lambda6-thia-11,13,18,23,27-pentazapentacyclo[20.3.1.115,18.02,10.05,9]heptacosa-1(26),2(10),3,5(9),15(27),16,22,24-octaen-12-one
CID 156110492
US11530200, Example 13
CID 147083103
Sodium 16-fluoro-19,19-dimethyl-14,14-dioxo-21-oxa-14lambda6-thia-11,13,18,23,27-pentazapentacyclo[20.3.1.115,18.02,10.05,9]heptacosa-1(26),2(10),3,5(9),15(27),16,22,24-octaen-12-one
CID 178297468
1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propylpyrazol-3-yl)sulfonimidoyl]urea
CID 163657813
1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137509644
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137509697
1-[1-(2-fluoroethyl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137509784
1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137509947
1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137509978
1-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 137509979
1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea
CID 137509980

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea?
The IUPAC name of 1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea (CID 142529154) is 1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea.
What is the SMILES notation for 1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea?
The canonical SMILES for 1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea is COC1(c2cc(S(=O)NC(=O)Nc3c(-c4cccnc4)cc(F)c4c3CCC4)nn2C)COC1.
What is the InChIKey of 1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea?
The InChIKey is HJTHRBZEAJTTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O4S/c1-29-19(23(32-2)12-33-13-23)10-20(27-29)34(31)28-22(30)26-21-16-7-3-6-15(16)18(24)9-17(21)14-5-4-8-25-11-14/h4-5,8-11H,3,6-7,12-13H2,1-2H3,(H2,26,28,30).
What are the key properties of 1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea?
1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea has a molecular weight of 485.54 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfinylurea is sourced from PubChem (CID 142529154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).