2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile

C23H30N6S — CID 23151450

IUPAC2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCc1nc(-c2c(C)c(C#N)c3nc(C(C)(C)C)cn3c2N2CCC(N(C)C)C2)cs1
InChIInChI=1S/C23H30N6S/c1-14-17(10-24)21-26-19(23(3,4)5)12-29(21)22(20(14)18-13-30-15(2)25-18)28-9-8-16(11-28)27(6)7/h12-13,16H,8-9,11H2,1-7H3
InChIKeyGJBOVNHJMORGPY-UHFFFAOYSA-N
MW422.60 g/mol
LogP4.38
Rot. Bonds3

About 2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile

2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 23151450) has the molecular formula C23H30N6S and a molecular weight of 422.60 g/mol. Its IUPAC name is 2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID23151450
Molecular FormulaC23H30N6S
Molecular Weight422.60 g/mol
Exact Mass422.23
IUPAC Name2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCc1nc(-c2c(C)c(C#N)c3nc(C(C)(C)C)cn3c2N2CCC(N(C)C)C2)cs1
InChIInChI=1S/C23H30N6S/c1-14-17(10-24)21-26-19(23(3,4)5)12-29(21)22(20(14)18-13-30-15(2)25-18)28-9-8-16(11-28)27(6)7/h12-13,16H,8-9,11H2,1-7H3
InChIKeyGJBOVNHJMORGPY-UHFFFAOYSA-N
XLogP4.38
TPSA60.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 23151450) is 2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile is Cc1nc(-c2c(C)c(C#N)c3nc(C(C)(C)C)cn3c2N2CCC(N(C)C)C2)cs1.
What is the InChIKey of 2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is GJBOVNHJMORGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6S/c1-14-17(10-24)21-26-19(23(3,4)5)12-29(21)22(20(14)18-13-30-15(2)25-18)28-9-8-16(11-28)27(6)7/h12-13,16H,8-9,11H2,1-7H3.
What are the key properties of 2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile?
2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 422.60 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 23151450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).