1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea

C24H26N4O4S — CID 137404333

IUPAC1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea
SMILESCOc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccnc(C(C)C)c2)CCC3)ccn1
InChIInChI=1S/C24H26N4O4S/c1-15(2)21-14-18(10-12-25-21)33(30,31)28-24(29)27-23-19-6-4-5-16(19)7-8-20(23)17-9-11-26-22(13-17)32-3/h7-15H,4-6H2,1-3H3,(H2,27,28,29)
InChIKeyWUMYUCAZYZCDKR-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.27
Rot. Bonds6

About 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea

1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea (PubChem CID 137404333) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea.

Molecular Properties

Compound Name1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea
PubChem CID137404333
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea
SMILESCOc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccnc(C(C)C)c2)CCC3)ccn1
InChIInChI=1S/C24H26N4O4S/c1-15(2)21-14-18(10-12-25-21)33(30,31)28-24(29)27-23-19-6-4-5-16(19)7-8-20(23)17-9-11-26-22(13-17)32-3/h7-15H,4-6H2,1-3H3,(H2,27,28,29)
InChIKeyWUMYUCAZYZCDKR-UHFFFAOYSA-N
XLogP4.27
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea?
The IUPAC name of 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea (CID 137404333) is 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea.
What is the SMILES notation for 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea?
The canonical SMILES for 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea is COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccnc(C(C)C)c2)CCC3)ccn1.
What is the InChIKey of 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea?
The InChIKey is WUMYUCAZYZCDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-15(2)21-14-18(10-12-25-21)33(30,31)28-24(29)27-23-19-6-4-5-16(19)7-8-20(23)17-9-11-26-22(13-17)32-3/h7-15H,4-6H2,1-3H3,(H2,27,28,29).
What are the key properties of 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea?
1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea has a molecular weight of 466.56 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea is sourced from PubChem (CID 137404333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).