1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide

C24H26ClN5O2S — CID 11465846

IUPAC1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3cccnc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1
InChIInChI=1S/C24H26ClN5O2S/c1-15(2)29-10-7-17(8-11-29)27-24(31)19-12-16-4-3-9-26-23(16)30(19)14-18-13-20(32-28-18)21-5-6-22(25)33-21/h3-6,9,12-13,15,17H,7-8,10-11,14H2,1-2H3,(H,27,31)
InChIKeyZRKRAKQLRZOXQY-UHFFFAOYSA-N
MW484.03 g/mol
LogP5.06
Rot. Bonds6

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 11465846) has the molecular formula C24H26ClN5O2S and a molecular weight of 484.03 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)pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID11465846
Molecular FormulaC24H26ClN5O2S
Molecular Weight484.03 g/mol
Exact Mass483.15
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3cccnc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1
InChIInChI=1S/C24H26ClN5O2S/c1-15(2)29-10-7-17(8-11-29)27-24(31)19-12-16-4-3-9-26-23(16)30(19)14-18-13-20(32-28-18)21-5-6-22(25)33-21/h3-6,9,12-13,15,17H,7-8,10-11,14H2,1-2H3,(H,27,31)
InChIKeyZRKRAKQLRZOXQY-UHFFFAOYSA-N
XLogP5.06
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.03
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridine-2-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)pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide (CID 11465846) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridine-2-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)pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide is CC(C)N1CCC(NC(=O)c2cc3cccnc3n2Cc2cc(-c3ccc(Cl)s3)on2)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)pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZRKRAKQLRZOXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2S/c1-15(2)29-10-7-17(8-11-29)27-24(31)19-12-16-4-3-9-26-23(16)30(19)14-18-13-20(32-28-18)21-5-6-22(25)33-21/h3-6,9,12-13,15,17H,7-8,10-11,14H2,1-2H3,(H,27,31).
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)pyrrolo[2,3-b]pyridine-2-carboxamide?
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 484.03 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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)pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11465846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).