N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine

C28H32FN9S — CID 170726166

IUPACN-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCCN1C[C@@H]2C[C@H]1CN2c1nc(C)cc(Nc2cc3nc(-c4cncc(N5CCC(F)CC5)c4)sc3cn2)n1
InChIInChI=1S/C28H32FN9S/c1-3-36-15-22-10-21(36)16-38(22)28-32-17(2)8-26(35-28)34-25-11-23-24(14-31-25)39-27(33-23)18-9-20(13-30-12-18)37-6-4-19(29)5-7-37/h8-9,11-14,19,21-22H,3-7,10,15-16H2,1-2H3,(H,31,32,34,35)/t21-,22-/m0/s1
InChIKeyFAJULUDBWCOUOD-VXKWHMMOSA-N
MW545.69 g/mol
LogP4.82
Rot. Bonds6

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

N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine (PubChem CID 170726166) has the molecular formula C28H32FN9S and a molecular weight of 545.69 g/mol. Its IUPAC name is N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
PubChem CID170726166
Molecular FormulaC28H32FN9S
Molecular Weight545.69 g/mol
Exact Mass545.25
IUPAC NameN-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCCN1C[C@@H]2C[C@H]1CN2c1nc(C)cc(Nc2cc3nc(-c4cncc(N5CCC(F)CC5)c4)sc3cn2)n1
InChIInChI=1S/C28H32FN9S/c1-3-36-15-22-10-21(36)16-38(22)28-32-17(2)8-26(35-28)34-25-11-23-24(14-31-25)39-27(33-23)18-9-20(13-30-12-18)37-6-4-19(29)5-7-37/h8-9,11-14,19,21-22H,3-7,10,15-16H2,1-2H3,(H,31,32,34,35)/t21-,22-/m0/s1
InChIKeyFAJULUDBWCOUOD-VXKWHMMOSA-N
XLogP4.82
TPSA86.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.69
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

Ulecaciclib
CID 126535127
N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-7-Methyl-N4-(1-Methylimidazol-4-Yl)thieno[3,2-D]pyrimidine-2,4-Diamine
CID 45275254
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
US20230303553, Example 19
CID 169073886
US20230303553, Example 13
CID 169073898
US20230303553, Example 28
CID 169073906
N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine
CID 58299573
11,13-Dimethyl-6-piperazin-1-yl-4-pyridin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 89596243
(2S)-1-N-(4-pyridin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)propane-1,2-diamine
CID 89596333
2-[2-(pyrazin-2-ylamino)-4-pyridinyl]-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 89596382

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The IUPAC name of N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine (CID 170726166) is N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine.
What is the SMILES notation for N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The canonical SMILES for N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine is CCN1C[C@@H]2C[C@H]1CN2c1nc(C)cc(Nc2cc3nc(-c4cncc(N5CCC(F)CC5)c4)sc3cn2)n1.
What is the InChIKey of N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The InChIKey is FAJULUDBWCOUOD-VXKWHMMOSA-N. The full InChI is InChI=1S/C28H32FN9S/c1-3-36-15-22-10-21(36)16-38(22)28-32-17(2)8-26(35-28)34-25-11-23-24(14-31-25)39-27(33-23)18-9-20(13-30-12-18)37-6-4-19(29)5-7-37/h8-9,11-14,19,21-22H,3-7,10,15-16H2,1-2H3,(H,31,32,34,35)/t21-,22-/m0/s1.
What are the key properties of N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine has a molecular weight of 545.69 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine is sourced from PubChem (CID 170726166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).