1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide

C25H31ClN6O3S2 — CID 10482980

IUPAC1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc(C(=O)N3CCSCC3)n(Cc3cc(-c4ccc(Cl)s4)on3)n2)CC1
InChIInChI=1S/C25H31ClN6O3S2/c1-16(2)30-7-5-17(6-8-30)27-24(33)19-14-20(25(34)31-9-11-36-12-10-31)32(28-19)15-18-13-21(35-29-18)22-3-4-23(26)37-22/h3-4,13-14,16-17H,5-12,15H2,1-2H3,(H,27,33)
InChIKeyWOZBYUXMCLGDEF-UHFFFAOYSA-N
MW563.15 g/mol
LogP4.09
Rot. Bonds7

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide (PubChem CID 10482980) has the molecular formula C25H31ClN6O3S2 and a molecular weight of 563.15 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide
PubChem CID10482980
Molecular FormulaC25H31ClN6O3S2
Molecular Weight563.15 g/mol
Exact Mass562.16
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc(C(=O)N3CCSCC3)n(Cc3cc(-c4ccc(Cl)s4)on3)n2)CC1
InChIInChI=1S/C25H31ClN6O3S2/c1-16(2)30-7-5-17(6-8-30)27-24(33)19-14-20(25(34)31-9-11-36-12-10-31)32(28-19)15-18-13-21(35-29-18)22-3-4-23(26)37-22/h3-4,13-14,16-17H,5-12,15H2,1-2H3,(H,27,33)
InChIKeyWOZBYUXMCLGDEF-UHFFFAOYSA-N
XLogP4.09
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.15
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide (CID 10482980) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide is CC(C)N1CCC(NC(=O)c2cc(C(=O)N3CCSCC3)n(Cc3cc(-c4ccc(Cl)s4)on3)n2)CC1.
What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide?
The InChIKey is WOZBYUXMCLGDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN6O3S2/c1-16(2)30-7-5-17(6-8-30)27-24(33)19-14-20(25(34)31-9-11-36-12-10-31)32(28-19)15-18-13-21(35-29-18)22-3-4-23(26)37-22/h3-4,13-14,16-17H,5-12,15H2,1-2H3,(H,27,33).
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide?
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide has a molecular weight of 563.15 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide is sourced from PubChem (CID 10482980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).