1-(1-ethylpiperidin-4-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea

C23H29FN4O4S — CID 137402955

IUPAC1-(1-ethylpiperidin-4-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
SMILESCCN1CCC(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC)c3)cc(F)c3c2CCC3)CC1
InChIInChI=1S/C23H29FN4O4S/c1-3-28-11-8-16(9-12-28)33(30,31)27-23(29)26-22-18-6-4-5-17(18)20(24)14-19(22)15-7-10-25-21(13-15)32-2/h7,10,13-14,16H,3-6,8-9,11-12H2,1-2H3,(H2,26,27,29)
InChIKeyGCXADWJRHJUKEB-UHFFFAOYSA-N
MW476.57 g/mol
LogP3.32
Rot. Bonds6

About 1-(1-ethylpiperidin-4-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea

1-(1-ethylpiperidin-4-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea (PubChem CID 137402955) has the molecular formula C23H29FN4O4S and a molecular weight of 476.57 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
PubChem CID137402955
Molecular FormulaC23H29FN4O4S
Molecular Weight476.57 g/mol
Exact Mass476.19
IUPAC Name1-(1-ethylpiperidin-4-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
SMILESCCN1CCC(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC)c3)cc(F)c3c2CCC3)CC1
InChIInChI=1S/C23H29FN4O4S/c1-3-28-11-8-16(9-12-28)33(30,31)27-23(29)26-22-18-6-4-5-17(18)20(24)14-19(22)15-7-10-25-21(13-15)32-2/h7,10,13-14,16H,3-6,8-9,11-12H2,1-2H3,(H2,26,27,29)
InChIKeyGCXADWJRHJUKEB-UHFFFAOYSA-N
XLogP3.32
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea (CID 137402955) is 1-(1-ethylpiperidin-4-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea is CCN1CCC(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC)c3)cc(F)c3c2CCC3)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea?
The InChIKey is GCXADWJRHJUKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O4S/c1-3-28-11-8-16(9-12-28)33(30,31)27-23(29)26-22-18-6-4-5-17(18)20(24)14-19(22)15-7-10-25-21(13-15)32-2/h7,10,13-14,16H,3-6,8-9,11-12H2,1-2H3,(H2,26,27,29).
What are the key properties of 1-(1-ethylpiperidin-4-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea?
1-(1-ethylpiperidin-4-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea has a molecular weight of 476.57 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea is sourced from PubChem (CID 137402955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).