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

C23H30N6S — CID 69448681

IUPAC2-tert-butyl-5-[(3S)-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)cn3c2N2CC[C@H](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/t16-/m0/s1
InChIKeyGJBOVNHJMORGPY-INIZCTEOSA-N
MW422.60 g/mol
LogP4.38
Rot. Bonds3

About 2-tert-butyl-5-[(3S)-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-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 69448681) has the molecular formula C23H30N6S and a molecular weight of 422.60 g/mol. Its IUPAC name is 2-tert-butyl-5-[(3S)-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-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID69448681
Molecular FormulaC23H30N6S
Molecular Weight422.60 g/mol
Exact Mass422.23
IUPAC Name2-tert-butyl-5-[(3S)-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)cn3c2N2CC[C@H](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/t16-/m0/s1
InChIKeyGJBOVNHJMORGPY-INIZCTEOSA-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

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Related Compounds

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
2-tert-butyl-5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(1-methylindol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 69443327
6-(1-benzofuran-3-yl)-2-tert-butyl-5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile
CID 69445069
5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile
CID 69446941
2-tert-butyl-7-[3-(dimethylamino)pyrrolidin-1-yl]-6-(3-hydroxyphenyl)-5-methyl-1,3-benzoxazole-4-carbonitrile
CID 68999509
1-(6-tert-butyl-3-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 134595807
2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78089600
2-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369962
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425808
3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 63091576
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103421966
2-cyclopentyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
CID 52943291

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[(3S)-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-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 69448681) is 2-tert-butyl-5-[(3S)-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-[(3S)-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-[(3S)-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)cn3c2N2CC[C@H](N(C)C)C2)cs1.
What is the InChIKey of 2-tert-butyl-5-[(3S)-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-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of 2-tert-butyl-5-[(3S)-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-[(3S)-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-[(3S)-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 69448681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).