[[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol

C22H20ClN7O3 — CID 123733796

IUPAC[[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol
SMILESCOc1ccc(Cl)cc1-c1nn(Cc2cc(C)no2)cc1NC(O)c1cnn2cccnc12
InChIInChI=1S/C22H20ClN7O3/c1-13-8-15(33-28-13)11-29-12-18(20(27-29)16-9-14(23)4-5-19(16)32-2)26-22(31)17-10-25-30-7-3-6-24-21(17)30/h3-10,12,22,26,31H,11H2,1-2H3
InChIKeyGKUUOCOFCIVAOS-UHFFFAOYSA-N
MW465.90 g/mol
LogP3.70
Rot. Bonds7

About [[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol

[[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol (PubChem CID 123733796) has the molecular formula C22H20ClN7O3 and a molecular weight of 465.90 g/mol. Its IUPAC name is [[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol.

Molecular Properties

Compound Name[[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol
PubChem CID123733796
Molecular FormulaC22H20ClN7O3
Molecular Weight465.90 g/mol
Exact Mass465.13
IUPAC Name[[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol
SMILESCOc1ccc(Cl)cc1-c1nn(Cc2cc(C)no2)cc1NC(O)c1cnn2cccnc12
InChIInChI=1S/C22H20ClN7O3/c1-13-8-15(33-28-13)11-29-12-18(20(27-29)16-9-14(23)4-5-19(16)32-2)26-22(31)17-10-25-30-7-3-6-24-21(17)30/h3-10,12,22,26,31H,11H2,1-2H3
InChIKeyGKUUOCOFCIVAOS-UHFFFAOYSA-N
XLogP3.70
TPSA115.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.90
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[[2-(1-methylazetidin-3-yl)tetrazol-5-yl]methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol
CID 155421348
2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-[[hydroxy(pyrazolo[1,5-a]pyrimidin-3-yl)methyl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 146201442
2-[4-[[(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-hydroxymethyl]amino]-3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]acetonitrile
CID 123287394
2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 66879664
[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol
CID 155472472
N-[3-(5-chloro-2-methoxyphenyl)-1-[(2R)-2,3-dihydroxy-3-methylbutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70495965
N-[3-(5-chloro-2-methoxyphenyl)-1-(2-oxoethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154961995
6-[1-(2-hydroxy-2-methylpropyl)-4-[[hydroxy(pyrazolo[1,5-a]pyrimidin-3-yl)methyl]amino]pyrazol-3-yl]-5-methoxypyridine-2-carbonitrile
CID 131982976
2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-[[hydroxy(pyrazolo[1,5-a]pyrimidin-3-yl)methyl]amino]pyrazol-1-yl]-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 147237273
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496991
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70495851
2-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-4-[[hydroxy(pyrazolo[1,5-a]pyrimidin-3-yl)methyl]amino]pyrazol-1-yl]acetic acid
CID 167143179

Frequently Asked Questions

What is the IUPAC name of [[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol?
The IUPAC name of [[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol (CID 123733796) is [[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol.
What is the SMILES notation for [[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol?
The canonical SMILES for [[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol is COc1ccc(Cl)cc1-c1nn(Cc2cc(C)no2)cc1NC(O)c1cnn2cccnc12.
What is the InChIKey of [[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol?
The InChIKey is GKUUOCOFCIVAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O3/c1-13-8-15(33-28-13)11-29-12-18(20(27-29)16-9-14(23)4-5-19(16)32-2)26-22(31)17-10-25-30-7-3-6-24-21(17)30/h3-10,12,22,26,31H,11H2,1-2H3.
What are the key properties of [[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol?
[[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol has a molecular weight of 465.90 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(5-chloro-2-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethanol is sourced from PubChem (CID 123733796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).