1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea

C23H25N5O5S — CID 137403200

IUPAC1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea
SMILESCOc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cn(C(C)C)c(=O)cn2)CCC3)ccn1
InChIInChI=1S/C23H25N5O5S/c1-14(2)28-13-20(25-12-21(28)29)34(31,32)27-23(30)26-22-17-6-4-5-15(17)7-8-18(22)16-9-10-24-19(11-16)33-3/h7-14H,4-6H2,1-3H3,(H2,26,27,30)
InChIKeyIENGJWVLZSKYAH-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.89
Rot. Bonds6

About 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea

1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea (PubChem CID 137403200) has the molecular formula C23H25N5O5S and a molecular weight of 483.55 g/mol. Its IUPAC name is 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea
PubChem CID137403200
Molecular FormulaC23H25N5O5S
Molecular Weight483.55 g/mol
Exact Mass483.16
IUPAC Name1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea
SMILESCOc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cn(C(C)C)c(=O)cn2)CCC3)ccn1
InChIInChI=1S/C23H25N5O5S/c1-14(2)28-13-20(25-12-21(28)29)34(31,32)27-23(30)26-22-17-6-4-5-15(17)7-8-18(22)16-9-10-24-19(11-16)33-3/h7-14H,4-6H2,1-3H3,(H2,26,27,30)
InChIKeyIENGJWVLZSKYAH-UHFFFAOYSA-N
XLogP2.89
TPSA132.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea?
The IUPAC name of 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea (CID 137403200) is 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea.
What is the SMILES notation for 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea?
The canonical SMILES for 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea is COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cn(C(C)C)c(=O)cn2)CCC3)ccn1.
What is the InChIKey of 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea?
The InChIKey is IENGJWVLZSKYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5S/c1-14(2)28-13-20(25-12-21(28)29)34(31,32)27-23(30)26-22-17-6-4-5-15(17)7-8-18(22)16-9-10-24-19(11-16)33-3/h7-14H,4-6H2,1-3H3,(H2,26,27,30).
What are the key properties of 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea?
1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea has a molecular weight of 483.55 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea is sourced from PubChem (CID 137403200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).