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

C22H24N8OS — CID 87944693

IUPACN-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOCCN1CCN(c2ccnc(Nc3nc4ccc(-c5ccnnc5)nc4s3)c2)CC1
InChIInChI=1S/C22H24N8OS/c1-31-13-12-29-8-10-30(11-9-29)17-5-6-23-20(14-17)28-22-27-19-3-2-18(26-21(19)32-22)16-4-7-24-25-15-16/h2-7,14-15H,8-13H2,1H3,(H,23,27,28)
InChIKeyHGXKBSYVGLTLIF-UHFFFAOYSA-N
MW448.56 g/mol
LogP3.06
Rot. Bonds7

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

N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 87944693) has the molecular formula C22H24N8OS and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridazin-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-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID87944693
Molecular FormulaC22H24N8OS
Molecular Weight448.56 g/mol
Exact Mass448.18
IUPAC NameN-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOCCN1CCN(c2ccnc(Nc3nc4ccc(-c5ccnnc5)nc4s3)c2)CC1
InChIInChI=1S/C22H24N8OS/c1-31-13-12-29-8-10-30(11-9-29)17-5-6-23-20(14-17)28-22-27-19-3-2-18(26-21(19)32-22)16-4-7-24-25-15-16/h2-7,14-15H,8-13H2,1H3,(H,23,27,28)
InChIKeyHGXKBSYVGLTLIF-UHFFFAOYSA-N
XLogP3.06
TPSA92.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridazin-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-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 87944693) is N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridazin-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-pyridazin-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-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is COCCN1CCN(c2ccnc(Nc3nc4ccc(-c5ccnnc5)nc4s3)c2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is HGXKBSYVGLTLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8OS/c1-31-13-12-29-8-10-30(11-9-29)17-5-6-23-20(14-17)28-22-27-19-3-2-18(26-21(19)32-22)16-4-7-24-25-15-16/h2-7,14-15H,8-13H2,1H3,(H,23,27,28).
What are the key properties of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 448.56 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 87944693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).