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

C23H28N8OS — CID 87945605

IUPACN-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCC(C)OCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1
InChIInChI=1S/C23H28N8OS/c1-16(2)32-12-11-30-7-9-31(10-8-30)18-5-6-24-21(13-18)29-23-28-20-4-3-19(27-22(20)33-23)17-14-25-26-15-17/h3-6,13-16H,7-12H2,1-2H3,(H,25,26)(H,24,28,29)
InChIKeyVCVGZRAWODFKGM-UHFFFAOYSA-N
MW464.60 g/mol
LogP3.77
Rot. Bonds8

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

N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 87945605) has the molecular formula C23H28N8OS and a molecular weight of 464.60 g/mol. Its IUPAC name is N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID87945605
Molecular FormulaC23H28N8OS
Molecular Weight464.60 g/mol
Exact Mass464.21
IUPAC NameN-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCC(C)OCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1
InChIInChI=1S/C23H28N8OS/c1-16(2)32-12-11-30-7-9-31(10-8-30)18-5-6-24-21(13-18)29-23-28-20-4-3-19(27-22(20)33-23)17-14-25-26-15-17/h3-6,13-16H,7-12H2,1-2H3,(H,25,26)(H,24,28,29)
InChIKeyVCVGZRAWODFKGM-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine with MolForge

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Related Compounds

N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87945561
N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87945651
2-propan-2-yloxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 87944549
5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87944732
[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol
CID 87945629
N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 134422625
N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87944735
N-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 135295325
ethyl 2-[4-[2-[[5-[(2,4-difluorophenyl)methylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]acetate
CID 87813175
N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 24829522
2-methoxy-1-[3-methyl-4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 90121815
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 141081126

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 87945605) is N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is CC(C)OCCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.
What is the InChIKey of N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is VCVGZRAWODFKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8OS/c1-16(2)32-12-11-30-7-9-31(10-8-30)18-5-6-24-21(13-18)29-23-28-20-4-3-19(27-22(20)33-23)17-14-25-26-15-17/h3-6,13-16H,7-12H2,1-2H3,(H,25,26)(H,24,28,29).
What are the key properties of N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 464.60 g/mol, XLogP of 3.77, 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-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 87945605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).