6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide

C24H23F2N7OS — CID 24772173

IUPAC6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide
SMILESCN(c1ccc2nc(Nc3ccc(C(=O)NC4CCNCC4)cn3)sc2n1)c1ccc(F)cc1F
InChIInChI=1S/C24H23F2N7OS/c1-33(19-5-3-15(25)12-17(19)26)21-7-4-18-23(32-21)35-24(30-18)31-20-6-2-14(13-28-20)22(34)29-16-8-10-27-11-9-16/h2-7,12-13,16,27H,8-11H2,1H3,(H,29,34)(H,28,30,31)
InChIKeyGQCYTFQZUYPTHC-UHFFFAOYSA-N
MW495.56 g/mol
LogP4.36
Rot. Bonds6

About 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide

6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide (PubChem CID 24772173) has the molecular formula C24H23F2N7OS and a molecular weight of 495.56 g/mol. Its IUPAC name is 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide
PubChem CID24772173
Molecular FormulaC24H23F2N7OS
Molecular Weight495.56 g/mol
Exact Mass495.17
IUPAC Name6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide
SMILESCN(c1ccc2nc(Nc3ccc(C(=O)NC4CCNCC4)cn3)sc2n1)c1ccc(F)cc1F
InChIInChI=1S/C24H23F2N7OS/c1-33(19-5-3-15(25)12-17(19)26)21-7-4-18-23(32-21)35-24(30-18)31-20-6-2-14(13-28-20)22(34)29-16-8-10-27-11-9-16/h2-7,12-13,16,27H,8-11H2,1H3,(H,29,34)(H,28,30,31)
InChIKeyGQCYTFQZUYPTHC-UHFFFAOYSA-N
XLogP4.36
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide?
The IUPAC name of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide (CID 24772173) is 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide is CN(c1ccc2nc(Nc3ccc(C(=O)NC4CCNCC4)cn3)sc2n1)c1ccc(F)cc1F.
What is the InChIKey of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide?
The InChIKey is GQCYTFQZUYPTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7OS/c1-33(19-5-3-15(25)12-17(19)26)21-7-4-18-23(32-21)35-24(30-18)31-20-6-2-14(13-28-20)22(34)29-16-8-10-27-11-9-16/h2-7,12-13,16,27H,8-11H2,1H3,(H,29,34)(H,28,30,31).
What are the key properties of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide?
6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 24772173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).