1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone

C24H28N8O2S — CID 87945548

IUPAC1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone
SMILESCc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCN(C(=O)COC(C)C)CC4)ccn3)sc2n1
InChIInChI=1S/C24H28N8O2S/c1-15(2)34-14-22(33)32-10-8-31(9-11-32)17-6-7-25-21(12-17)29-24-28-20-5-4-19(27-23(20)35-24)18-13-26-30-16(18)3/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,26,30)(H,25,28,29)
InChIKeyYGAUTMIBMNFAMU-UHFFFAOYSA-N
MW492.61 g/mol
LogP3.60
Rot. Bonds7

About 1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone

1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone (PubChem CID 87945548) has the molecular formula C24H28N8O2S and a molecular weight of 492.61 g/mol. Its IUPAC name is 1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone
PubChem CID87945548
Molecular FormulaC24H28N8O2S
Molecular Weight492.61 g/mol
Exact Mass492.21
IUPAC Name1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone
SMILESCc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCN(C(=O)COC(C)C)CC4)ccn3)sc2n1
InChIInChI=1S/C24H28N8O2S/c1-15(2)34-14-22(33)32-10-8-31(9-11-32)17-6-7-25-21(12-17)29-24-28-20-5-4-19(27-23(20)35-24)18-13-26-30-16(18)3/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,26,30)(H,25,28,29)
InChIKeyYGAUTMIBMNFAMU-UHFFFAOYSA-N
XLogP3.60
TPSA112.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone (CID 87945548) is 1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone is Cc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCN(C(=O)COC(C)C)CC4)ccn3)sc2n1.
What is the InChIKey of 1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone?
The InChIKey is YGAUTMIBMNFAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2S/c1-15(2)34-14-22(33)32-10-8-31(9-11-32)17-6-7-25-21(12-17)29-24-28-20-5-4-19(27-23(20)35-24)18-13-26-30-16(18)3/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,26,30)(H,25,28,29).
What are the key properties of 1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone?
1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone has a molecular weight of 492.61 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 87945548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).