N-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride

C20H23ClN6S — CID 153383564

IUPACN-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride
SMILESCN(c1nc2ncc(-c3ccc4nn(C)cc4c3)cc2s1)C1CCNCC1.Cl
InChIInChI=1S/C20H22N6S.ClH/c1-25-12-15-9-13(3-4-17(15)24-25)14-10-18-19(22-11-14)23-20(27-18)26(2)16-5-7-21-8-6-16;/h3-4,9-12,16,21H,5-8H2,1-2H3;1H
InChIKeyOBYJAWPSWQBUNL-UHFFFAOYSA-N
MW414.97 g/mol
LogP3.86
Rot. Bonds3

About N-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride

N-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride (PubChem CID 153383564) has the molecular formula C20H23ClN6S and a molecular weight of 414.97 g/mol. Its IUPAC name is N-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride
PubChem CID153383564
Molecular FormulaC20H23ClN6S
Molecular Weight414.97 g/mol
Exact Mass414.14
IUPAC NameN-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride
SMILESCN(c1nc2ncc(-c3ccc4nn(C)cc4c3)cc2s1)C1CCNCC1.Cl
InChIInChI=1S/C20H22N6S.ClH/c1-25-12-15-9-13(3-4-17(15)24-25)14-10-18-19(22-11-14)23-20(27-18)26(2)16-5-7-21-8-6-16;/h3-4,9-12,16,21H,5-8H2,1-2H3;1H
InChIKeyOBYJAWPSWQBUNL-UHFFFAOYSA-N
XLogP3.86
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.97
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride?
The IUPAC name of N-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride (CID 153383564) is N-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride?
The canonical SMILES for N-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride is CN(c1nc2ncc(-c3ccc4nn(C)cc4c3)cc2s1)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride?
The InChIKey is OBYJAWPSWQBUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6S.ClH/c1-25-12-15-9-13(3-4-17(15)24-25)14-10-18-19(22-11-14)23-20(27-18)26(2)16-5-7-21-8-6-16;/h3-4,9-12,16,21H,5-8H2,1-2H3;1H.
What are the key properties of N-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride?
N-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride has a molecular weight of 414.97 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 153383564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).