2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine

C28H26FN9S — CID 170725968

IUPAC2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCc1cc(Nc2cc3nc(-c4cncc(-c5ncc(F)cc5C)c4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C28H26FN9S/c1-15-4-19(29)11-32-26(15)17-6-18(10-30-9-17)27-34-22-8-24(31-12-23(22)39-27)35-25-5-16(2)33-28(36-25)38-14-20-7-21(38)13-37(20)3/h4-6,8-12,20-21H,7,13-14H2,1-3H3,(H,31,33,35,36)/t20-,21-/m0/s1
InChIKeyVYYVBTPHMBBXLK-SFTDATJTSA-N
MW539.64 g/mol
LogP5.00
Rot. Bonds5

About 2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine

2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine (PubChem CID 170725968) has the molecular formula C28H26FN9S and a molecular weight of 539.64 g/mol. Its IUPAC name is 2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine.

Molecular Properties

Compound Name2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
PubChem CID170725968
Molecular FormulaC28H26FN9S
Molecular Weight539.64 g/mol
Exact Mass539.20
IUPAC Name2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCc1cc(Nc2cc3nc(-c4cncc(-c5ncc(F)cc5C)c4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C28H26FN9S/c1-15-4-19(29)11-32-26(15)17-6-18(10-30-9-17)27-34-22-8-24(31-12-23(22)39-27)35-25-5-16(2)33-28(36-25)38-14-20-7-21(38)13-37(20)3/h4-6,8-12,20-21H,7,13-14H2,1-3H3,(H,31,33,35,36)/t20-,21-/m0/s1
InChIKeyVYYVBTPHMBBXLK-SFTDATJTSA-N
XLogP5.00
TPSA95.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.64
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine with MolForge

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Related Compounds

2-(1,4''-Bipiperidin-1''-yl)-6-(6-fluoropyridin-3-yl)thiazolo[4,5-c]pyridine
CID 45482756
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 164616904
N-(4-(benzo[d]thiazol-2-yl)phenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 44564751
2-(1,4''-Bipiperidin-1''-yl)-6-(2-fluoropyridin-3-yl)thiazolo[4,5-c]pyridine
CID 45482680
2-(1,4''-Bipiperidin-1''-yl)-6-(2-fluoropyridin-3-yl)thiazolo[4,5-b]pyridine
CID 45482686
2-(1,4''-Bipiperidin-1''-yl)-6-(6-methylpyridin-3-yl)thiazolo[4,5-b]pyridine
CID 45482687
5-(2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-b]pyridin-6-yl)pyridin-2-amine
CID 45482705
2-(1,4''-Bipiperidin-1''-yl)-6-(6-methylpyridin-3-yl)thiazolo[4,5-c]pyridine
CID 45482709
5-(2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-c]pyridin-6-yl)pyridin-2-amine
CID 45482746
5-(2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-b]pyridin-6-yl)pyrazin-2-amine
CID 45482752
2-(1,4''-Bipiperidin-1''-yl)-6-(pyrimidin-5-yl)thiazolo[4,5-c]pyridine
CID 45482757
2-(1,4''-Bipiperidin-1''-yl)-6-(2-fluoropyridin-4-yl)thiazolo[4,5-c]pyridine
CID 45482770

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The IUPAC name of 2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine (CID 170725968) is 2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine.
What is the SMILES notation for 2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The canonical SMILES for 2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine is Cc1cc(Nc2cc3nc(-c4cncc(-c5ncc(F)cc5C)c4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1.
What is the InChIKey of 2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The InChIKey is VYYVBTPHMBBXLK-SFTDATJTSA-N. The full InChI is InChI=1S/C28H26FN9S/c1-15-4-19(29)11-32-26(15)17-6-18(10-30-9-17)27-34-22-8-24(31-12-23(22)39-27)35-25-5-16(2)33-28(36-25)38-14-20-7-21(38)13-37(20)3/h4-6,8-12,20-21H,7,13-14H2,1-3H3,(H,31,33,35,36)/t20-,21-/m0/s1.
What are the key properties of 2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine has a molecular weight of 539.64 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine is sourced from PubChem (CID 170725968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).