[4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol

C20H15ClN6O — CID 170553744

IUPAC[4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol
SMILESCc1nn(-c2cc(Cl)ccc2CO)c2cc(-c3cnn4cccnc34)ncc12
InChIInChI=1S/C20H15ClN6O/c1-12-15-9-23-17(16-10-24-26-6-2-5-22-20(16)26)8-19(15)27(25-12)18-7-14(21)4-3-13(18)11-28/h2-10,28H,11H2,1H3
InChIKeyKCFUSOYSEKHXLL-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.58
Rot. Bonds3

About [4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol

[4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol (PubChem CID 170553744) has the molecular formula C20H15ClN6O and a molecular weight of 390.83 g/mol. Its IUPAC name is [4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol
PubChem CID170553744
Molecular FormulaC20H15ClN6O
Molecular Weight390.83 g/mol
Exact Mass390.10
IUPAC Name[4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol
SMILESCc1nn(-c2cc(Cl)ccc2CO)c2cc(-c3cnn4cccnc34)ncc12
InChIInChI=1S/C20H15ClN6O/c1-12-15-9-23-17(16-10-24-26-6-2-5-22-20(16)26)8-19(15)27(25-12)18-7-14(21)4-3-13(18)11-28/h2-10,28H,11H2,1H3
InChIKeyKCFUSOYSEKHXLL-UHFFFAOYSA-N
XLogP3.58
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
CID 175481100
N-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide
CID 165125548
1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
CID 170553727
tert-butyl N-[1-[[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl]azetidin-3-yl]carbamate
CID 170648077
[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid
CID 174172126
ethyl 5-chloro-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
CID 171682355
3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-yl-2H-pyrazolo[4,3-c]pyridine
CID 170553720
[1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid
CID 174172786
N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 171058230
N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide
CID 165125616
(4-chloro-2-pyrazol-1-ylphenyl)methanol
CID 114845909
N-[[2-chloro-5-methoxy-4-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]methanesulfonamide
CID 170648103

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol?
The IUPAC name of [4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol (CID 170553744) is [4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol.
What is the SMILES notation for [4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol?
The canonical SMILES for [4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol is Cc1nn(-c2cc(Cl)ccc2CO)c2cc(-c3cnn4cccnc34)ncc12.
What is the InChIKey of [4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol?
The InChIKey is KCFUSOYSEKHXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6O/c1-12-15-9-23-17(16-10-24-26-6-2-5-22-20(16)26)8-19(15)27(25-12)18-7-14(21)4-3-13(18)11-28/h2-10,28H,11H2,1H3.
What are the key properties of [4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol?
[4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol has a molecular weight of 390.83 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol is sourced from PubChem (CID 170553744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).