1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine

C21H16F2N6O — CID 170553727

IUPAC1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
SMILESCc1ccc(OC(F)F)c(-n2nc(C)c3cnc(-c4cnn5cccnc45)cc32)c1
InChIInChI=1S/C21H16F2N6O/c1-12-4-5-19(30-21(22)23)18(8-12)29-17-9-16(25-10-14(17)13(2)27-29)15-11-26-28-7-3-6-24-20(15)28/h3-11,21H,1-2H3
InChIKeyRWGBUMQQMRMGFB-UHFFFAOYSA-N
MW406.40 g/mol
LogP4.35
Rot. Bonds4

About 1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine

1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine (PubChem CID 170553727) has the molecular formula C21H16F2N6O and a molecular weight of 406.40 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
PubChem CID170553727
Molecular FormulaC21H16F2N6O
Molecular Weight406.40 g/mol
Exact Mass406.14
IUPAC Name1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
SMILESCc1ccc(OC(F)F)c(-n2nc(C)c3cnc(-c4cnn5cccnc45)cc32)c1
InChIInChI=1S/C21H16F2N6O/c1-12-4-5-19(30-21(22)23)18(8-12)29-17-9-16(25-10-14(17)13(2)27-29)15-11-26-28-7-3-6-24-20(15)28/h3-11,21H,1-2H3
InChIKeyRWGBUMQQMRMGFB-UHFFFAOYSA-N
XLogP4.35
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
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
[4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol
CID 170553744
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
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
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
1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine
CID 171065261
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
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-[3-methoxy-4-[3-(2-piperidin-1-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]phenyl]methanesulfonamide
CID 169275520
N-[3-[2-(difluoromethoxy)-5-methylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142477399

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine (CID 170553727) is 1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine is Cc1ccc(OC(F)F)c(-n2nc(C)c3cnc(-c4cnn5cccnc45)cc32)c1.
What is the InChIKey of 1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine?
The InChIKey is RWGBUMQQMRMGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O/c1-12-4-5-19(30-21(22)23)18(8-12)29-17-9-16(25-10-14(17)13(2)27-29)15-11-26-28-7-3-6-24-20(15)28/h3-11,21H,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine?
1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine has a molecular weight of 406.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 170553727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).