2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol

C23H25F2N7O — CID 134440546

IUPAC2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
SMILESCc1nn(-c2cc(Nc3c(C)c(-c4ccc(F)cc4F)nn3C)ncn2)c(C)c1C(C)(C)O
InChIInChI=1S/C23H25F2N7O/c1-12-21(16-8-7-15(24)9-17(16)25)30-31(6)22(12)28-18-10-19(27-11-26-18)32-14(3)20(13(2)29-32)23(4,5)33/h7-11,33H,1-6H3,(H,26,27,28)
InChIKeyOABIXXKXOMGRTE-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.24
Rot. Bonds5

About 2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol

2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol (PubChem CID 134440546) has the molecular formula C23H25F2N7O and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
PubChem CID134440546
Molecular FormulaC23H25F2N7O
Molecular Weight453.50 g/mol
Exact Mass453.21
IUPAC Name2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
SMILESCc1nn(-c2cc(Nc3c(C)c(-c4ccc(F)cc4F)nn3C)ncn2)c(C)c1C(C)(C)O
InChIInChI=1S/C23H25F2N7O/c1-12-21(16-8-7-15(24)9-17(16)25)30-31(6)22(12)28-18-10-19(27-11-26-18)32-14(3)20(13(2)29-32)23(4,5)33/h7-11,33H,1-6H3,(H,26,27,28)
InChIKeyOABIXXKXOMGRTE-UHFFFAOYSA-N
XLogP4.24
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 134440238
2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
CID 134440309
4-[3-[[6-[4-(2-hydroxypropan-2-yl)-3,5-dimethylpyrazol-1-yl]pyrimidin-4-yl]amino]-1,4-dimethylpyrazol-5-yl]benzonitrile
CID 134440349
2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
CID 134440886
2-[4-chloro-1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3-methylpyrazol-5-yl]propan-2-ol
CID 134440841
N-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 142754035
2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
CID 146922381
1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 134440781
N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 134440477
4-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]-6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]methyl]pyrimidine
CID 159989154
1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide
CID 142754166
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine
CID 134439990

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol (CID 134440546) is 2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol is Cc1nn(-c2cc(Nc3c(C)c(-c4ccc(F)cc4F)nn3C)ncn2)c(C)c1C(C)(C)O.
What is the InChIKey of 2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
The InChIKey is OABIXXKXOMGRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O/c1-12-21(16-8-7-15(24)9-17(16)25)30-31(6)22(12)28-18-10-19(27-11-26-18)32-14(3)20(13(2)29-32)23(4,5)33/h7-11,33H,1-6H3,(H,26,27,28).
What are the key properties of 2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol has a molecular weight of 453.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol is sourced from PubChem (CID 134440546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).