4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide

C21H27N5O2 — CID 134344637

IUPAC4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(Cc2cn(C)c3ncc(-c4c(C)noc4C)cc23)CC1
InChIInChI=1S/C21H27N5O2/c1-13-19(14(2)28-24-13)16-10-18-17(12-25(4)20(18)23-11-16)9-15-5-7-26(8-6-15)21(27)22-3/h10-12,15H,5-9H2,1-4H3,(H,22,27)
InChIKeyGCPAGBLAOIQAMO-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.44
Rot. Bonds3

About 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide

4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide (PubChem CID 134344637) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide
PubChem CID134344637
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(Cc2cn(C)c3ncc(-c4c(C)noc4C)cc23)CC1
InChIInChI=1S/C21H27N5O2/c1-13-19(14(2)28-24-13)16-10-18-17(12-25(4)20(18)23-11-16)9-15-5-7-26(8-6-15)21(27)22-3/h10-12,15H,5-9H2,1-4H3,(H,22,27)
InChIKeyGCPAGBLAOIQAMO-UHFFFAOYSA-N
XLogP3.44
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide (CID 134344637) is 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(Cc2cn(C)c3ncc(-c4c(C)noc4C)cc23)CC1.
What is the InChIKey of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is GCPAGBLAOIQAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-13-19(14(2)28-24-13)16-10-18-17(12-25(4)20(18)23-11-16)9-15-5-7-26(8-6-15)21(27)22-3/h10-12,15H,5-9H2,1-4H3,(H,22,27).
What are the key properties of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide?
4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 134344637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).