4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

C22H24N6OS — CID 148595143

IUPAC4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1cncc(-n2cc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cn2)c1
InChIInChI=1S/C22H24N6OS/c1-14-8-17(12-23-10-14)28-13-15(11-24-28)9-20-26-19-6-7-30-21(19)22(27-20)25-16-2-4-18(29)5-3-16/h6-8,10-13,16,18,29H,2-5,9H2,1H3,(H,25,26,27)
InChIKeyNBKHTVRICMWAPA-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.89
Rot. Bonds5

About 4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 148595143) has the molecular formula C22H24N6OS and a molecular weight of 420.54 g/mol. Its IUPAC name is 4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID148595143
Molecular FormulaC22H24N6OS
Molecular Weight420.54 g/mol
Exact Mass420.17
IUPAC Name4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1cncc(-n2cc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cn2)c1
InChIInChI=1S/C22H24N6OS/c1-14-8-17(12-23-10-14)28-13-15(11-24-28)9-20-26-19-6-7-30-21(19)22(27-20)25-16-2-4-18(29)5-3-16/h6-8,10-13,16,18,29H,2-5,9H2,1H3,(H,25,26,27)
InChIKeyNBKHTVRICMWAPA-UHFFFAOYSA-N
XLogP3.89
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
(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
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
4-[4-((S)-2-Amino-3-phenyl-propylamino)-2-(3-fluoro-pyridin-4-yl)-thieno[3,2-d]pyrimidin-7-yl]-but-3-yn-1-ol
CID 71576126
2-Methyl-4-[7-methyl-2-pyridin-4-yl-4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-6-yl]-but-3-yn-2-ol
CID 89587136
2-[2-(benzylamino)-4-pyridinyl]-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 89587268
[2-(2-Phenylamino-pyridin-4-yl)-thieno[3,2-d]pyrimidin-4-yl]-(R)-pyrrolidin-3-yl-amine
CID 89587354
1-Phenyl-3-{4-[4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-urea
CID 89587405
(2R)-3-phenyl-1-N-[7-(1H-pyrazol-5-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]propane-1,2-diamine
CID 89596261
(S)-3-Phenyl-N*1*-(2-pyridin-4-yl-7-[1,2,3]triazol-1-yl-thieno[3,2-d]pyrimidin-4-yl)-propane-1,2-diamine
CID 89596271
2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 89596274

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 148595143) is 4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is Cc1cncc(-n2cc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cn2)c1.
What is the InChIKey of 4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is NBKHTVRICMWAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6OS/c1-14-8-17(12-23-10-14)28-13-15(11-24-28)9-20-26-19-6-7-30-21(19)22(27-20)25-16-2-4-18(29)5-3-16/h6-8,10-13,16,18,29H,2-5,9H2,1H3,(H,25,26,27).
What are the key properties of 4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 420.54 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 148595143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).