1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone

C25H26FN7OS — CID 24772564

IUPAC1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(N(C)c5ccc(F)cc5)nc4s3)c2)CC1
InChIInChI=1S/C25H26FN7OS/c1-17(34)33-13-11-32(12-14-33)16-18-9-10-27-22(15-18)29-25-28-21-7-8-23(30-24(21)35-25)31(2)20-5-3-19(26)4-6-20/h3-10,15H,11-14,16H2,1-2H3,(H,27,28,29)
InChIKeyKRTABMYTHGZYIF-UHFFFAOYSA-N
MW491.60 g/mol
LogP4.40
Rot. Bonds6

About 1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone

1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone (PubChem CID 24772564) has the molecular formula C25H26FN7OS and a molecular weight of 491.60 g/mol. Its IUPAC name is 1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone
PubChem CID24772564
Molecular FormulaC25H26FN7OS
Molecular Weight491.60 g/mol
Exact Mass491.19
IUPAC Name1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(N(C)c5ccc(F)cc5)nc4s3)c2)CC1
InChIInChI=1S/C25H26FN7OS/c1-17(34)33-13-11-32(12-14-33)16-18-9-10-27-22(15-18)29-25-28-21-7-8-23(30-24(21)35-25)31(2)20-5-3-19(26)4-6-20/h3-10,15H,11-14,16H2,1-2H3,(H,27,28,29)
InChIKeyKRTABMYTHGZYIF-UHFFFAOYSA-N
XLogP4.40
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 24772621
2-[4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]acetic acid
CID 24772297
2-[4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 24772298
5-N-methyl-5-N-(4-methylphenyl)-2-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
CID 90861769
1-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperidin-4-one
CID 87812634
2-N-[4-(chloromethyl)-2-pyridinyl]-5-N-(4-fluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
CID 90954309
4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one
CID 87813134
5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
CID 24772689
1-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol
CID 87812835
4-[[2-[[5-[(2,4-difluorophenyl)methylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 87818166
5-N-(4-fluorophenyl)-5-N-methyl-2-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
CID 24772755
diethyl-(4-fluorophenyl)-[2-[[4-[(4-propanoylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]azanium
CID 87833524

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone (CID 24772564) is 1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(N(C)c5ccc(F)cc5)nc4s3)c2)CC1.
What is the InChIKey of 1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is KRTABMYTHGZYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7OS/c1-17(34)33-13-11-32(12-14-33)16-18-9-10-27-22(15-18)29-25-28-21-7-8-23(30-24(21)35-25)31(2)20-5-3-19(26)4-6-20/h3-10,15H,11-14,16H2,1-2H3,(H,27,28,29).
What are the key properties of 1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone?
1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 491.60 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 24772564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).