6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride

C20H22ClFN6S — CID 153382993

IUPAC6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride
SMILESCN(c1nc2cnc(-c3cc(F)c4nn(C)cc4c3)cc2s1)C1CCNCC1.Cl
InChIInChI=1S/C20H21FN6S.ClH/c1-26-11-13-7-12(8-15(21)19(13)25-26)16-9-18-17(10-23-16)24-20(28-18)27(2)14-3-5-22-6-4-14;/h7-11,14,22H,3-6H2,1-2H3;1H
InChIKeyNMVWHXCYECNUKQ-UHFFFAOYSA-N
MW432.96 g/mol
LogP3.99
Rot. Bonds3

About 6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride

6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride (PubChem CID 153382993) has the molecular formula C20H22ClFN6S and a molecular weight of 432.96 g/mol. Its IUPAC name is 6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride
PubChem CID153382993
Molecular FormulaC20H22ClFN6S
Molecular Weight432.96 g/mol
Exact Mass432.13
IUPAC Name6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride
SMILESCN(c1nc2cnc(-c3cc(F)c4nn(C)cc4c3)cc2s1)C1CCNCC1.Cl
InChIInChI=1S/C20H21FN6S.ClH/c1-26-11-13-7-12(8-15(21)19(13)25-26)16-9-18-17(10-23-16)24-20(28-18)27(2)14-3-5-22-6-4-14;/h7-11,14,22H,3-6H2,1-2H3;1H
InChIKeyNMVWHXCYECNUKQ-UHFFFAOYSA-N
XLogP3.99
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride?
The IUPAC name of 6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride (CID 153382993) is 6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride?
The canonical SMILES for 6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride is CN(c1nc2cnc(-c3cc(F)c4nn(C)cc4c3)cc2s1)C1CCNCC1.Cl.
What is the InChIKey of 6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride?
The InChIKey is NMVWHXCYECNUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6S.ClH/c1-26-11-13-7-12(8-15(21)19(13)25-26)16-9-18-17(10-23-16)24-20(28-18)27(2)14-3-5-22-6-4-14;/h7-11,14,22H,3-6H2,1-2H3;1H.
What are the key properties of 6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride?
6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride has a molecular weight of 432.96 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 153382993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).