2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride

C21H22ClN7S — CID 153383364

IUPAC2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride
SMILESCc1cn2cc(-c3cc4sc(N(C)C5CCNCC5)nc4cn3)cc(C#N)c2n1.Cl
InChIInChI=1S/C21H21N7S.ClH/c1-13-11-28-12-15(7-14(9-22)20(28)25-13)17-8-19-18(10-24-17)26-21(29-19)27(2)16-3-5-23-6-4-16;/h7-8,10-12,16,23H,3-6H2,1-2H3;1H
InChIKeyJUVLKTQZFRDJTG-UHFFFAOYSA-N
MW439.98 g/mol
LogP3.80
Rot. Bonds3

About 2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride

2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride (PubChem CID 153383364) has the molecular formula C21H22ClN7S and a molecular weight of 439.98 g/mol. Its IUPAC name is 2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride
PubChem CID153383364
Molecular FormulaC21H22ClN7S
Molecular Weight439.98 g/mol
Exact Mass439.13
IUPAC Name2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride
SMILESCc1cn2cc(-c3cc4sc(N(C)C5CCNCC5)nc4cn3)cc(C#N)c2n1.Cl
InChIInChI=1S/C21H21N7S.ClH/c1-13-11-28-12-15(7-14(9-22)20(28)25-13)17-8-19-18(10-24-17)26-21(29-19)27(2)16-3-5-23-6-4-16;/h7-8,10-12,16,23H,3-6H2,1-2H3;1H
InChIKeyJUVLKTQZFRDJTG-UHFFFAOYSA-N
XLogP3.80
TPSA82.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.98
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride?
The IUPAC name of 2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride (CID 153383364) is 2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride.
What is the SMILES notation for 2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride?
The canonical SMILES for 2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride is Cc1cn2cc(-c3cc4sc(N(C)C5CCNCC5)nc4cn3)cc(C#N)c2n1.Cl.
What is the InChIKey of 2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride?
The InChIKey is JUVLKTQZFRDJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7S.ClH/c1-13-11-28-12-15(7-14(9-22)20(28)25-13)17-8-19-18(10-24-17)26-21(29-19)27(2)16-3-5-23-6-4-16;/h7-8,10-12,16,23H,3-6H2,1-2H3;1H.
What are the key properties of 2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride?
2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride has a molecular weight of 439.98 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride is sourced from PubChem (CID 153383364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).