[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol

C21H24N8OS — CID 166774066

IUPAC[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol
SMILESCc1cc(Nc2nc(NC3CCN(C(O)c4ccccn4)CC3)nc3ccsc23)n[nH]1
InChIInChI=1S/C21H24N8OS/c1-13-12-17(28-27-13)25-19-18-15(7-11-31-18)24-21(26-19)23-14-5-9-29(10-6-14)20(30)16-4-2-3-8-22-16/h2-4,7-8,11-12,14,20,30H,5-6,9-10H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyQZWOUIQTNASFOT-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.43
Rot. Bonds6

About [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol

[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol (PubChem CID 166774066) has the molecular formula C21H24N8OS and a molecular weight of 436.55 g/mol. Its IUPAC name is [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol
PubChem CID166774066
Molecular FormulaC21H24N8OS
Molecular Weight436.55 g/mol
Exact Mass436.18
IUPAC Name[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol
SMILESCc1cc(Nc2nc(NC3CCN(C(O)c4ccccn4)CC3)nc3ccsc23)n[nH]1
InChIInChI=1S/C21H24N8OS/c1-13-12-17(28-27-13)25-19-18-15(7-11-31-18)24-21(26-19)23-14-5-9-29(10-6-14)20(30)16-4-2-3-8-22-16/h2-4,7-8,11-12,14,20,30H,5-6,9-10H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyQZWOUIQTNASFOT-UHFFFAOYSA-N
XLogP3.43
TPSA114.88 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol?
The IUPAC name of [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol (CID 166774066) is [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol is Cc1cc(Nc2nc(NC3CCN(C(O)c4ccccn4)CC3)nc3ccsc23)n[nH]1.
What is the InChIKey of [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol?
The InChIKey is QZWOUIQTNASFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8OS/c1-13-12-17(28-27-13)25-19-18-15(7-11-31-18)24-21(26-19)23-14-5-9-29(10-6-14)20(30)16-4-2-3-8-22-16/h2-4,7-8,11-12,14,20,30H,5-6,9-10H2,1H3,(H3,23,24,25,26,27,28).
What are the key properties of [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol?
[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol has a molecular weight of 436.55 g/mol, XLogP of 3.43, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 166774066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).