2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one

C24H25FN6O — CID 160630522

IUPAC2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESCCc1c(Cc2cc(-n3[nH]c4c(c3=O)CCCC4)ncn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C24H25FN6O/c1-3-18-21(28-30(2)23(18)15-8-10-16(25)11-9-15)12-17-13-22(27-14-26-17)31-24(32)19-6-4-5-7-20(19)29-31/h8-11,13-14,29H,3-7,12H2,1-2H3
InChIKeyXUJLUDGFUCOXNQ-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.53
Rot. Bonds5

About 2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one

2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one (PubChem CID 160630522) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one.

Molecular Properties

Compound Name2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one
PubChem CID160630522
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESCCc1c(Cc2cc(-n3[nH]c4c(c3=O)CCCC4)ncn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C24H25FN6O/c1-3-18-21(28-30(2)23(18)15-8-10-16(25)11-9-15)12-17-13-22(27-14-26-17)31-24(32)19-6-4-5-7-20(19)29-31/h8-11,13-14,29H,3-7,12H2,1-2H3
InChIKeyXUJLUDGFUCOXNQ-UHFFFAOYSA-N
XLogP3.53
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one with MolForge

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Related Compounds

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)-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 134440622
1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine
CID 147047304
1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine
CID 160719944
2-[6-[[4-ethyl-5-(4-fluorophenyl)pyrazolidin-3-yl]amino]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 163200950
4-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]-6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]methyl]pyrimidine
CID 159989154
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]pyrimidine
CID 159575169
2-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 137305537
4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine
CID 105474028
4-ethyl-5-(4-fluorophenyl)-1-methylpyrazole-3-carbaldehyde
CID 146448044
2-pyridin-2-yl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one
CID 66022503
4-[9-amino-1-methyl-7-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)-10H-pyrazolo[5,4-f][1,5]diazonin-3-yl]benzonitrile
CID 137305580

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one?
The IUPAC name of 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) is 2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one.
What is the SMILES notation for 2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one?
The canonical SMILES for 2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one is CCc1c(Cc2cc(-n3[nH]c4c(c3=O)CCCC4)ncn2)nn(C)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one?
The InChIKey is XUJLUDGFUCOXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-3-18-21(28-30(2)23(18)15-8-10-16(25)11-9-15)12-17-13-22(27-14-26-17)31-24(32)19-6-4-5-7-20(19)29-31/h8-11,13-14,29H,3-7,12H2,1-2H3.
What are the key properties of 2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one?
2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one has a molecular weight of 432.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one is sourced from PubChem (CID 160630522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).