1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide

C17H19FN8OS — CID 118173941

IUPAC1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide
SMILESCc1nc(N)cc(Nc2ncc(F)c3nc(N4CCCC(C(N)=O)C4)sc23)n1
InChIInChI=1S/C17H19FN8OS/c1-8-22-11(19)5-12(23-8)24-16-14-13(10(18)6-21-16)25-17(28-14)26-4-2-3-9(7-26)15(20)27/h5-6,9H,2-4,7H2,1H3,(H2,20,27)(H3,19,21,22,23,24)
InChIKeyLRWGTFPZQFSZKR-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.96
Rot. Bonds4

About 1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide

1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide (PubChem CID 118173941) has the molecular formula C17H19FN8OS and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide
PubChem CID118173941
Molecular FormulaC17H19FN8OS
Molecular Weight402.46 g/mol
Exact Mass402.14
IUPAC Name1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide
SMILESCc1nc(N)cc(Nc2ncc(F)c3nc(N4CCCC(C(N)=O)C4)sc23)n1
InChIInChI=1S/C17H19FN8OS/c1-8-22-11(19)5-12(23-8)24-16-14-13(10(18)6-21-16)25-17(28-14)26-4-2-3-9(7-26)15(20)27/h5-6,9H,2-4,7H2,1H3,(H2,20,27)(H3,19,21,22,23,24)
InChIKeyLRWGTFPZQFSZKR-UHFFFAOYSA-N
XLogP1.96
TPSA135.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide (CID 118173941) is 1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide is Cc1nc(N)cc(Nc2ncc(F)c3nc(N4CCCC(C(N)=O)C4)sc23)n1.
What is the InChIKey of 1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide?
The InChIKey is LRWGTFPZQFSZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN8OS/c1-8-22-11(19)5-12(23-8)24-16-14-13(10(18)6-21-16)25-17(28-14)26-4-2-3-9(7-26)15(20)27/h5-6,9H,2-4,7H2,1H3,(H2,20,27)(H3,19,21,22,23,24).
What are the key properties of 1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide?
1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 118173941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).