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

C23H28N8OS — CID 87945554

IUPACN-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOCCN1CCN(Cc2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)CC1
InChIInChI=1S/C23H28N8OS/c1-16-18(14-25-29-16)19-3-4-20-22(26-19)33-23(27-20)28-21-13-17(5-6-24-21)15-31-9-7-30(8-10-31)11-12-32-2/h3-6,13-14H,7-12,15H2,1-2H3,(H,25,29)(H,24,27,28)
InChIKeyLPZOYAXWCLYXOK-UHFFFAOYSA-N
MW464.60 g/mol
LogP3.29
Rot. Bonds8

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

N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 87945554) has the molecular formula C23H28N8OS and a molecular weight of 464.60 g/mol. Its IUPAC name is N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID87945554
Molecular FormulaC23H28N8OS
Molecular Weight464.60 g/mol
Exact Mass464.21
IUPAC NameN-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOCCN1CCN(Cc2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)CC1
InChIInChI=1S/C23H28N8OS/c1-16-18(14-25-29-16)19-3-4-20-22(26-19)33-23(27-20)28-21-13-17(5-6-24-21)15-31-9-7-30(8-10-31)11-12-32-2/h3-6,13-14H,7-12,15H2,1-2H3,(H,25,29)(H,24,27,28)
InChIKeyLPZOYAXWCLYXOK-UHFFFAOYSA-N
XLogP3.29
TPSA95.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-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-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 87945554) is N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-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-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is COCCN1CCN(Cc2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)CC1.
What is the InChIKey of N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is LPZOYAXWCLYXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8OS/c1-16-18(14-25-29-16)19-3-4-20-22(26-19)33-23(27-20)28-21-13-17(5-6-24-21)15-31-9-7-30(8-10-31)11-12-32-2/h3-6,13-14H,7-12,15H2,1-2H3,(H,25,29)(H,24,27,28).
What are the key properties of N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 464.60 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 87945554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).