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

C22H26N8OS — CID 87945582

IUPACN-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)CC1
InChIInChI=1S/C22H26N8OS/c1-15-17(14-24-28-15)18-3-4-19-21(25-18)32-22(26-19)27-20-13-16(5-6-23-20)30-9-7-29(8-10-30)11-12-31-2/h3-6,13-14H,7-12H2,1-2H3,(H,24,28)(H,23,26,27)
InChIKeyMHDAHXZZKJQJAU-UHFFFAOYSA-N
MW450.57 g/mol
LogP3.30
Rot. Bonds7

About N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-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]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 87945582) has the molecular formula C22H26N8OS and a molecular weight of 450.57 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-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]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID87945582
Molecular FormulaC22H26N8OS
Molecular Weight450.57 g/mol
Exact Mass450.20
IUPAC NameN-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)CC1
InChIInChI=1S/C22H26N8OS/c1-15-17(14-24-28-15)18-3-4-19-21(25-18)32-22(26-19)27-20-13-16(5-6-23-20)30-9-7-29(8-10-30)11-12-31-2/h3-6,13-14H,7-12H2,1-2H3,(H,24,28)(H,23,26,27)
InChIKeyMHDAHXZZKJQJAU-UHFFFAOYSA-N
XLogP3.30
TPSA95.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[4-(2-methoxyethyl)piperazin-1-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-[4-(2-methoxyethyl)piperazin-1-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-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 87945582) is N-[4-[4-(2-methoxyethyl)piperazin-1-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-[4-(2-methoxyethyl)piperazin-1-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-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is COCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is MHDAHXZZKJQJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8OS/c1-15-17(14-24-28-15)18-3-4-19-21(25-18)32-22(26-19)27-20-13-16(5-6-23-20)30-9-7-29(8-10-30)11-12-31-2/h3-6,13-14H,7-12H2,1-2H3,(H,24,28)(H,23,26,27).
What are the key properties of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-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]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 450.57 g/mol, XLogP of 3.30, 7 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]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 87945582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).