4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one

C25H27N7OS — CID 87813134

IUPAC4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one
SMILESCc1ccc(N(C)c2ccc3nc(Nc4cc(CN5CCN(C)C(=O)C5)ccn4)sc3n2)cc1
InChIInChI=1S/C25H27N7OS/c1-17-4-6-19(7-5-17)31(3)22-9-8-20-24(29-22)34-25(27-20)28-21-14-18(10-11-26-21)15-32-13-12-30(2)23(33)16-32/h4-11,14H,12-13,15-16H2,1-3H3,(H,26,27,28)
InChIKeyREOIRSDYAZUNPZ-UHFFFAOYSA-N
MW473.61 g/mol
LogP4.18
Rot. Bonds6

About 4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one

4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one (PubChem CID 87813134) has the molecular formula C25H27N7OS and a molecular weight of 473.61 g/mol. Its IUPAC name is 4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one
PubChem CID87813134
Molecular FormulaC25H27N7OS
Molecular Weight473.61 g/mol
Exact Mass473.20
IUPAC Name4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one
SMILESCc1ccc(N(C)c2ccc3nc(Nc4cc(CN5CCN(C)C(=O)C5)ccn4)sc3n2)cc1
InChIInChI=1S/C25H27N7OS/c1-17-4-6-19(7-5-17)31(3)22-9-8-20-24(29-22)34-25(27-20)28-21-14-18(10-11-26-21)15-32-13-12-30(2)23(33)16-32/h4-11,14H,12-13,15-16H2,1-3H3,(H,26,27,28)
InChIKeyREOIRSDYAZUNPZ-UHFFFAOYSA-N
XLogP4.18
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one (CID 87813134) is 4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one is Cc1ccc(N(C)c2ccc3nc(Nc4cc(CN5CCN(C)C(=O)C5)ccn4)sc3n2)cc1.
What is the InChIKey of 4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one?
The InChIKey is REOIRSDYAZUNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7OS/c1-17-4-6-19(7-5-17)31(3)22-9-8-20-24(29-22)34-25(27-20)28-21-14-18(10-11-26-21)15-32-13-12-30(2)23(33)16-32/h4-11,14H,12-13,15-16H2,1-3H3,(H,26,27,28).
What are the key properties of 4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one?
4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one has a molecular weight of 473.61 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 87813134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).