N-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

C23H26N8OS — CID 87945551

IUPACN-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOCCN1CC2CC1CN2c1ccnc(Nc2nc3ccc(-c4cn[nH]c4C)nc3s2)c1
InChIInChI=1S/C23H26N8OS/c1-14-18(11-25-29-14)19-3-4-20-22(26-19)33-23(27-20)28-21-10-15(5-6-24-21)31-13-16-9-17(31)12-30(16)7-8-32-2/h3-6,10-11,16-17H,7-9,12-13H2,1-2H3,(H,25,29)(H,24,27,28)
InChIKeyDTVINZBLJBIIIX-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.44
Rot. Bonds7

About N-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 87945551) has the molecular formula C23H26N8OS and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID87945551
Molecular FormulaC23H26N8OS
Molecular Weight462.58 g/mol
Exact Mass462.20
IUPAC NameN-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOCCN1CC2CC1CN2c1ccnc(Nc2nc3ccc(-c4cn[nH]c4C)nc3s2)c1
InChIInChI=1S/C23H26N8OS/c1-14-18(11-25-29-14)19-3-4-20-22(26-19)33-23(27-20)28-21-10-15(5-6-24-21)31-13-16-9-17(31)12-30(16)7-8-32-2/h3-6,10-11,16-17H,7-9,12-13H2,1-2H3,(H,25,29)(H,24,27,28)
InChIKeyDTVINZBLJBIIIX-UHFFFAOYSA-N
XLogP3.44
TPSA95.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 87945551) is N-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is COCCN1CC2CC1CN2c1ccnc(Nc2nc3ccc(-c4cn[nH]c4C)nc3s2)c1.
What is the InChIKey of N-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is DTVINZBLJBIIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8OS/c1-14-18(11-25-29-14)19-3-4-20-22(26-19)33-23(27-20)28-21-10-15(5-6-24-21)31-13-16-9-17(31)12-30(16)7-8-32-2/h3-6,10-11,16-17H,7-9,12-13H2,1-2H3,(H,25,29)(H,24,27,28).
What are the key properties of N-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 462.58 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 87945551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).