N-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide

C25H27N7O2 — CID 154639926

IUPACN-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)c1c(-c2ccc3nccn3c2)[nH]c2ccc(-c3nnc(C(=O)NCCN(C)C)o3)cc12
InChIInChI=1S/C25H27N7O2/c1-15(2)21-18-13-16(24-29-30-25(34-24)23(33)27-9-11-31(3)4)5-7-19(18)28-22(21)17-6-8-20-26-10-12-32(20)14-17/h5-8,10,12-15,28H,9,11H2,1-4H3,(H,27,33)
InChIKeyMLKSJSULEWXSRM-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.95
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 154639926) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID154639926
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)c1c(-c2ccc3nccn3c2)[nH]c2ccc(-c3nnc(C(=O)NCCN(C)C)o3)cc12
InChIInChI=1S/C25H27N7O2/c1-15(2)21-18-13-16(24-29-30-25(34-24)23(33)27-9-11-31(3)4)5-7-19(18)28-22(21)17-6-8-20-26-10-12-32(20)14-17/h5-8,10,12-15,28H,9,11H2,1-4H3,(H,27,33)
InChIKeyMLKSJSULEWXSRM-UHFFFAOYSA-N
XLogP3.95
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide (CID 154639926) is N-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide is CC(C)c1c(-c2ccc3nccn3c2)[nH]c2ccc(-c3nnc(C(=O)NCCN(C)C)o3)cc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is MLKSJSULEWXSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-15(2)21-18-13-16(24-29-30-25(34-24)23(33)27-9-11-31(3)4)5-7-19(18)28-22(21)17-6-8-20-26-10-12-32(20)14-17/h5-8,10,12-15,28H,9,11H2,1-4H3,(H,27,33).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 457.54 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 154639926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).