1-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]urea

C24H30N6O4S — CID 66610833

IUPAC1-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]urea
SMILESO=C(NCc1ccc2nccn2c1)Nc1ccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cc1
InChIInChI=1S/C24H30N6O4S/c31-24(26-17-19-1-6-23-25-9-12-29(23)18-19)27-20-2-4-22(5-3-20)35(32,33)30-10-7-21(8-11-30)28-13-15-34-16-14-28/h1-6,9,12,18,21H,7-8,10-11,13-17H2,(H2,26,27,31)
InChIKeyXTKIOJIFHWGQHF-UHFFFAOYSA-N
MW498.61 g/mol
LogP2.14
Rot. Bonds6

About 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]urea

1-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]urea (PubChem CID 66610833) has the molecular formula C24H30N6O4S and a molecular weight of 498.61 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]urea.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]urea
PubChem CID66610833
Molecular FormulaC24H30N6O4S
Molecular Weight498.61 g/mol
Exact Mass498.20
IUPAC Name1-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]urea
SMILESO=C(NCc1ccc2nccn2c1)Nc1ccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cc1
InChIInChI=1S/C24H30N6O4S/c31-24(26-17-19-1-6-23-25-9-12-29(23)18-19)27-20-2-4-22(5-3-20)35(32,33)30-10-7-21(8-11-30)28-13-15-34-16-14-28/h1-6,9,12,18,21H,7-8,10-11,13-17H2,(H2,26,27,31)
InChIKeyXTKIOJIFHWGQHF-UHFFFAOYSA-N
XLogP2.14
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]urea?
The IUPAC name of 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]urea (CID 66610833) is 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]urea.
What is the SMILES notation for 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]urea?
The canonical SMILES for 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]urea is O=C(NCc1ccc2nccn2c1)Nc1ccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cc1.
What is the InChIKey of 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]urea?
The InChIKey is XTKIOJIFHWGQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4S/c31-24(26-17-19-1-6-23-25-9-12-29(23)18-19)27-20-2-4-22(5-3-20)35(32,33)30-10-7-21(8-11-30)28-13-15-34-16-14-28/h1-6,9,12,18,21H,7-8,10-11,13-17H2,(H2,26,27,31).
What are the key properties of 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]urea?
1-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]urea has a molecular weight of 498.61 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]urea is sourced from PubChem (CID 66610833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).