4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

C20H21N7OS — CID 135128232

IUPAC4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Nc3cnn(-c4ccncc4)c3)nc3ccsc23)CC1
InChIInChI=1S/C20H21N7OS/c28-16-3-1-13(2-4-16)23-19-18-17(7-10-29-18)25-20(26-19)24-14-11-22-27(12-14)15-5-8-21-9-6-15/h5-13,16,28H,1-4H2,(H2,23,24,25,26)
InChIKeyXWKWNFGUWUGBGQ-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.73
Rot. Bonds5

About 4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 135128232) has the molecular formula C20H21N7OS and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID135128232
Molecular FormulaC20H21N7OS
Molecular Weight407.50 g/mol
Exact Mass407.15
IUPAC Name4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Nc3cnn(-c4ccncc4)c3)nc3ccsc23)CC1
InChIInChI=1S/C20H21N7OS/c28-16-3-1-13(2-4-16)23-19-18-17(7-10-29-18)25-20(26-19)24-14-11-22-27(12-14)15-5-8-21-9-6-15/h5-13,16,28H,1-4H2,(H2,23,24,25,26)
InChIKeyXWKWNFGUWUGBGQ-UHFFFAOYSA-N
XLogP3.73
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[4-Benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 46913758
(trans)-4-((4-(Morpholinomethyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl)amino)cyclohexanol (1)
CID 87070336
(3R,4R,5S)-3-amino-5-methyl-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-4-ol
CID 70981524
2-Phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine
CID 127037440
4-N-(2-dimethylphosphorylphenyl)-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 155523359
(3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol
CID 71007355
US9777017, Example 9
CID 73776490
(2S)-1-N-[7-(1-methylpyrazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596360
(2R)-1-[[4-[4-[[(3R)-pyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]propan-2-ol
CID 89596368
(1R)-1-phenyl-2-[[4-[4-[[(3R)-pyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol
CID 89596372
(3S,4S)-4-[(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)amino]pyrrolidin-3-ol
CID 89596416
(2S)-1-[[4-[4-[[(3R)-pyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]propan-2-ol
CID 89596459

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 135128232) is 4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(Nc3cnn(-c4ccncc4)c3)nc3ccsc23)CC1.
What is the InChIKey of 4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is XWKWNFGUWUGBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7OS/c28-16-3-1-13(2-4-16)23-19-18-17(7-10-29-18)25-20(26-19)24-14-11-22-27(12-14)15-5-8-21-9-6-15/h5-13,16,28H,1-4H2,(H2,23,24,25,26).
What are the key properties of 4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 407.50 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 135128232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).