1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen

C44H60F2N10O8S2 — CID 142529267

IUPAC1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen
SMILESCOc1ccc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)cn1.COc1cncc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)c1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2C22H26FN5O4S.4H2/c1-13(2)18-9-16(23)10-19(15-8-17(32-5)12-24-11-15)21(18)25-22(29)27-33(30,31)20-6-7-28(26-20)14(3)4;1-13(2)17-10-16(23)11-18(15-6-7-19(32-5)24-12-15)21(17)25-22(29)27-33(30,31)20-8-9-28(26-20)14(3)4;;;;/h2*6-14H,1-5H3,(H2,25,27,29);4*1H
InChIKeyHZHMJWWPNWDURD-UHFFFAOYSA-N
MW959.16 g/mol
LogP9.60
Rot. Bonds14

About 1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen

1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen (PubChem CID 142529267) has the molecular formula C44H60F2N10O8S2 and a molecular weight of 959.16 g/mol. Its IUPAC name is 1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen.

Molecular Properties

Compound Name1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen
PubChem CID142529267
Molecular FormulaC44H60F2N10O8S2
Molecular Weight959.16 g/mol
Exact Mass958.40
IUPAC Name1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen
SMILESCOc1ccc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)cn1.COc1cncc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)c1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2C22H26FN5O4S.4H2/c1-13(2)18-9-16(23)10-19(15-8-17(32-5)12-24-11-15)21(18)25-22(29)27-33(30,31)20-6-7-28(26-20)14(3)4;1-13(2)17-10-16(23)11-18(15-6-7-19(32-5)24-12-15)21(17)25-22(29)27-33(30,31)20-8-9-28(26-20)14(3)4;;;;/h2*6-14H,1-5H3,(H2,25,27,29);4*1H
InChIKeyHZHMJWWPNWDURD-UHFFFAOYSA-N
XLogP9.60
TPSA230.42 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500959.16
LogP ≤ 59.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen with MolForge

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Related Compounds

1-[5-(Dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea
CID 137500169
1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[1-[2-[3-[[7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoylsulfamoyl]pyrazol-1-yl]cyclopropyl]-7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137509619
1-[2-Cyclopentyl-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 137509630
1-[5-[(Dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea
CID 137509704
1-[2-(2-Ethoxy-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 137509743
1-[2-Cyclopropyl-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 137509823
1-[4-Fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea
CID 137510106
1-[4-Fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfinylurea
CID 138532389
1-[4-Fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(1-propan-2-ylpyrazol-3-yl)sulfonimidoyl]urea
CID 138532399
1-[4-Fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfanylurea
CID 138532531
1-[(4-chloro-1-propan-2-ylpyrazol-3-yl)sulfonimidoyl]-3-[7-fluoro-5-[2-[5-(2-methoxy-4-pyridinyl)-4-[[(1-propan-2-ylpyrazol-3-yl)sulfonimidoyl]carbamoylamino]-2,3-dihydro-1H-inden-2-yl]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
CID 138532657
1-[4-Fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 142529268

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen?
The IUPAC name of 1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen (CID 142529267) is 1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen.
What is the SMILES notation for 1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen?
The canonical SMILES for 1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen is COc1ccc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)cn1.COc1cncc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)c1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen?
The InChIKey is HZHMJWWPNWDURD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H26FN5O4S.4H2/c1-13(2)18-9-16(23)10-19(15-8-17(32-5)12-24-11-15)21(18)25-22(29)27-33(30,31)20-6-7-28(26-20)14(3)4;1-13(2)17-10-16(23)11-18(15-6-7-19(32-5)24-12-15)21(17)25-22(29)27-33(30,31)20-8-9-28(26-20)14(3)4;;;;/h2*6-14H,1-5H3,(H2,25,27,29);4*1H.
What are the key properties of 1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen?
1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen has a molecular weight of 959.16 g/mol, XLogP of 9.60, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen is sourced from PubChem (CID 142529267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).