2-[2-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol

C23H26FN7O — CID 134440121

IUPAC2-[2-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol
SMILESCCc1c(-c2ccc(F)cc2)nn(C)c1Nc1cc(-n2nc(C)cc2C(C)(C)O)ncn1
InChIInChI=1S/C23H26FN7O/c1-6-17-21(15-7-9-16(24)10-8-15)29-30(5)22(17)27-19-12-20(26-13-25-19)31-18(23(3,4)32)11-14(2)28-31/h7-13,32H,6H2,1-5H3,(H,25,26,27)
InChIKeyMBTSFABTQMAPDL-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.04
Rot. Bonds6

About 2-[2-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol

2-[2-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol (PubChem CID 134440121) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[2-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol
PubChem CID134440121
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name2-[2-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol
SMILESCCc1c(-c2ccc(F)cc2)nn(C)c1Nc1cc(-n2nc(C)cc2C(C)(C)O)ncn1
InChIInChI=1S/C23H26FN7O/c1-6-17-21(15-7-9-16(24)10-8-15)29-30(5)22(17)27-19-12-20(26-13-25-19)31-18(23(3,4)32)11-14(2)28-31/h7-13,32H,6H2,1-5H3,(H,25,26,27)
InChIKeyMBTSFABTQMAPDL-UHFFFAOYSA-N
XLogP4.04
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[[5-(3-Propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186268
[4-[[5-(1-Ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186263
N-[4-[[4-amino-3-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide
CID 149003255
N-[3-[[4-amino-3-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide
CID 155524274
2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol
CID 25016061
4-(6-(6-(1-Methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)azepan-4-ol
CID 72714576
1-[1-[6-[[2-(Cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-2,2,2-trifluoroethanol
CID 134439832
6-(3,5-dimethylpyrazol-1-yl)-N-[4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-yl]pyrimidin-4-amine
CID 134439943
N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 134439955
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(4-fluorophenyl)-1,4-dimethylpyrazol-5-yl]pyrimidin-4-amine
CID 134439966
[1-[6-[[4-Ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]methanol
CID 134439968
N-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 134439994

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[2-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol (CID 134440121) is 2-[2-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[2-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol is CCc1c(-c2ccc(F)cc2)nn(C)c1Nc1cc(-n2nc(C)cc2C(C)(C)O)ncn1.
What is the InChIKey of 2-[2-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol?
The InChIKey is MBTSFABTQMAPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-6-17-21(15-7-9-16(24)10-8-15)29-30(5)22(17)27-19-12-20(26-13-25-19)31-18(23(3,4)32)11-14(2)28-31/h7-13,32H,6H2,1-5H3,(H,25,26,27).
What are the key properties of 2-[2-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol?
2-[2-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol has a molecular weight of 435.51 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 134440121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).