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

C20H21FN6S — CID 150755880

IUPAC6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESCN(c1nc2cnc(-c3cc(F)c4nn(C)cc4c3)cc2s1)C1CCNCC1
InChIInChI=1S/C20H21FN6S/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
InChIKeyJWVGZJGEVQULFU-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.57
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

6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine (PubChem CID 150755880) has the molecular formula C20H21FN6S and a molecular weight of 396.50 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.

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
PubChem CID150755880
Molecular FormulaC20H21FN6S
Molecular Weight396.50 g/mol
Exact Mass396.15
IUPAC Name6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESCN(c1nc2cnc(-c3cc(F)c4nn(C)cc4c3)cc2s1)C1CCNCC1
InChIInChI=1S/C20H21FN6S/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
InChIKeyJWVGZJGEVQULFU-UHFFFAOYSA-N
XLogP3.57
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.57
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?
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 (CID 150755880) is 6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine.
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?
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 is CN(c1nc2cnc(-c3cc(F)c4nn(C)cc4c3)cc2s1)C1CCNCC1.
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?
The InChIKey is JWVGZJGEVQULFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6S/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.
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?
6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine has a molecular weight of 396.50 g/mol, XLogP of 3.57, 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 is sourced from PubChem (CID 150755880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).