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

C23H24N8OS — CID 170725624

IUPACN-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-pyridin-3-yloxy-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCCN1C[C@@H]2C[C@H]1CN2c1nc(C)cc(Nc2cc3nc(Oc4cccnc4)sc3cn2)n1
InChIInChI=1S/C23H24N8OS/c1-3-30-12-16-8-15(30)13-31(16)22-26-14(2)7-21(29-22)28-20-9-18-19(11-25-20)33-23(27-18)32-17-5-4-6-24-10-17/h4-7,9-11,15-16H,3,8,12-13H2,1-2H3,(H,25,26,28,29)/t15-,16-/m0/s1
InChIKeyYLUGBFYNHTUAPQ-HOTGVXAUSA-N
MW460.57 g/mol
LogP4.00
Rot. Bonds6

About N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-pyridin-3-yloxy-[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-pyridin-3-yloxy-[1,3]thiazolo[5,4-c]pyridin-6-amine (PubChem CID 170725624) has the molecular formula C23H24N8OS and a molecular weight of 460.57 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-pyridin-3-yloxy-[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-pyridin-3-yloxy-[1,3]thiazolo[5,4-c]pyridin-6-amine
PubChem CID170725624
Molecular FormulaC23H24N8OS
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC NameN-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-pyridin-3-yloxy-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCCN1C[C@@H]2C[C@H]1CN2c1nc(C)cc(Nc2cc3nc(Oc4cccnc4)sc3cn2)n1
InChIInChI=1S/C23H24N8OS/c1-3-30-12-16-8-15(30)13-31(16)22-26-14(2)7-21(29-22)28-20-9-18-19(11-25-20)33-23(27-18)32-17-5-4-6-24-10-17/h4-7,9-11,15-16H,3,8,12-13H2,1-2H3,(H,25,26,28,29)/t15-,16-/m0/s1
InChIKeyYLUGBFYNHTUAPQ-HOTGVXAUSA-N
XLogP4.00
TPSA92.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.00
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-pyridin-3-yloxy-[1,3]thiazolo[5,4-c]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-pyridin-3-yloxy-[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-pyridin-3-yloxy-[1,3]thiazolo[5,4-c]pyridin-6-amine (CID 170725624) is N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-pyridin-3-yloxy-[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-pyridin-3-yloxy-[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-pyridin-3-yloxy-[1,3]thiazolo[5,4-c]pyridin-6-amine is CCN1C[C@@H]2C[C@H]1CN2c1nc(C)cc(Nc2cc3nc(Oc4cccnc4)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-pyridin-3-yloxy-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The InChIKey is YLUGBFYNHTUAPQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C23H24N8OS/c1-3-30-12-16-8-15(30)13-31(16)22-26-14(2)7-21(29-22)28-20-9-18-19(11-25-20)33-23(27-18)32-17-5-4-6-24-10-17/h4-7,9-11,15-16H,3,8,12-13H2,1-2H3,(H,25,26,28,29)/t15-,16-/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-pyridin-3-yloxy-[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-pyridin-3-yloxy-[1,3]thiazolo[5,4-c]pyridin-6-amine has a molecular weight of 460.57 g/mol, XLogP of 4.00, 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-pyridin-3-yloxy-[1,3]thiazolo[5,4-c]pyridin-6-amine is sourced from PubChem (CID 170725624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).