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

C23H28N8OS — CID 87944503

IUPACN-[4-[4-(1-methoxypropan-2-yl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOCC(C)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)CC1
InChIInChI=1S/C23H28N8OS/c1-15(14-32-3)30-8-10-31(11-9-30)17-6-7-24-21(12-17)28-23-27-20-5-4-19(26-22(20)33-23)18-13-25-29-16(18)2/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,29)(H,24,27,28)
InChIKeyNKSJEZUOYKIMFE-UHFFFAOYSA-N
MW464.60 g/mol
LogP3.69
Rot. Bonds7

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

N-[4-[4-(1-methoxypropan-2-yl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 87944503) has the molecular formula C23H28N8OS and a molecular weight of 464.60 g/mol. Its IUPAC name is N-[4-[4-(1-methoxypropan-2-yl)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-(1-methoxypropan-2-yl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID87944503
Molecular FormulaC23H28N8OS
Molecular Weight464.60 g/mol
Exact Mass464.21
IUPAC NameN-[4-[4-(1-methoxypropan-2-yl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOCC(C)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)CC1
InChIInChI=1S/C23H28N8OS/c1-15(14-32-3)30-8-10-31(11-9-30)17-6-7-24-21(12-17)28-23-27-20-5-4-19(26-22(20)33-23)18-13-25-29-16(18)2/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,29)(H,24,27,28)
InChIKeyNKSJEZUOYKIMFE-UHFFFAOYSA-N
XLogP3.69
TPSA95.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-methoxypropan-2-yl)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-(1-methoxypropan-2-yl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 87944503) is N-[4-[4-(1-methoxypropan-2-yl)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-(1-methoxypropan-2-yl)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-(1-methoxypropan-2-yl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is COCC(C)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)CC1.
What is the InChIKey of N-[4-[4-(1-methoxypropan-2-yl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is NKSJEZUOYKIMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8OS/c1-15(14-32-3)30-8-10-31(11-9-30)17-6-7-24-21(12-17)28-23-27-20-5-4-19(26-22(20)33-23)18-13-25-29-16(18)2/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,29)(H,24,27,28).
What are the key properties of N-[4-[4-(1-methoxypropan-2-yl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[4-[4-(1-methoxypropan-2-yl)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 464.60 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-methoxypropan-2-yl)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 87944503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).