1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine

C24H22FN7 — CID 160719944

IUPAC1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine
SMILESCCc1c(Cc2cc(-n3nc(C)c4cnccc43)ncn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C24H22FN7/c1-4-19-21(30-31(3)24(19)16-5-7-17(25)8-6-16)11-18-12-23(28-14-27-18)32-22-9-10-26-13-20(22)15(2)29-32/h5-10,12-14H,4,11H2,1-3H3
InChIKeyRSYXGHINGMAMEZ-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.21
Rot. Bonds5

About 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine

1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine (PubChem CID 160719944) has the molecular formula C24H22FN7 and a molecular weight of 427.49 g/mol. Its IUPAC name is 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine
PubChem CID160719944
Molecular FormulaC24H22FN7
Molecular Weight427.49 g/mol
Exact Mass427.19
IUPAC Name1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine
SMILESCCc1c(Cc2cc(-n3nc(C)c4cnccc43)ncn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C24H22FN7/c1-4-19-21(30-31(3)24(19)16-5-7-17(25)8-6-16)11-18-12-23(28-14-27-18)32-22-9-10-26-13-20(22)15(2)29-32/h5-10,12-14H,4,11H2,1-3H3
InChIKeyRSYXGHINGMAMEZ-UHFFFAOYSA-N
XLogP4.21
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine
CID 147047304
4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine
CID 159542737
2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 160630522
4-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]-6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]methyl]pyrimidine
CID 159989154
1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine
CID 134439991
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]pyrimidine
CID 159575169
1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide
CID 142754166
ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 158985140
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine
CID 158868324
4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine
CID 160979710
ethyl 1-[6-[[4-chloro-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 149396498
[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-(3-fluoroazetidin-1-yl)methanone
CID 134440464

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine?
The IUPAC name of 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine (CID 160719944) is 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine is CCc1c(Cc2cc(-n3nc(C)c4cnccc43)ncn2)nn(C)c1-c1ccc(F)cc1.
What is the InChIKey of 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine?
The InChIKey is RSYXGHINGMAMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7/c1-4-19-21(30-31(3)24(19)16-5-7-17(25)8-6-16)11-18-12-23(28-14-27-18)32-22-9-10-26-13-20(22)15(2)29-32/h5-10,12-14H,4,11H2,1-3H3.
What are the key properties of 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine?
1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine has a molecular weight of 427.49 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine is sourced from PubChem (CID 160719944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).