1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol

C23H24FN7O — CID 134440080

IUPAC1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol
SMILESCc1nn(-c2cc(Nc3nn(C)c(-c4ccc(F)cc4)c3C)ncn2)c(C)c1C1(O)CC1
InChIInChI=1S/C23H24FN7O/c1-13-21(16-5-7-17(24)8-6-16)30(4)29-22(13)27-18-11-19(26-12-25-18)31-15(3)20(14(2)28-31)23(32)9-10-23/h5-8,11-12,32H,9-10H2,1-4H3,(H,25,26,27,29)
InChIKeyZDYWBPKBPVHHQW-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.85
Rot. Bonds5

About 1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol

1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol (PubChem CID 134440080) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol
PubChem CID134440080
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol
SMILESCc1nn(-c2cc(Nc3nn(C)c(-c4ccc(F)cc4)c3C)ncn2)c(C)c1C1(O)CC1
InChIInChI=1S/C23H24FN7O/c1-13-21(16-5-7-17(24)8-6-16)30(4)29-22(13)27-18-11-19(26-12-25-18)31-15(3)20(14(2)28-31)23(32)9-10-23/h5-8,11-12,32H,9-10H2,1-4H3,(H,25,26,27,29)
InChIKeyZDYWBPKBPVHHQW-UHFFFAOYSA-N
XLogP3.85
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol with MolForge

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Related Compounds

N-(4-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)phenyl)-4-(4-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 54580647
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-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]pyrimidin-4-amine
CID 134439940
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-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 134439986
N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine
CID 134439987
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine
CID 134439992
N-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 134439994
N-[1-cyclopropyl-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 134439995

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol?
The IUPAC name of 1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol (CID 134440080) is 1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol is Cc1nn(-c2cc(Nc3nn(C)c(-c4ccc(F)cc4)c3C)ncn2)c(C)c1C1(O)CC1.
What is the InChIKey of 1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol?
The InChIKey is ZDYWBPKBPVHHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-13-21(16-5-7-17(24)8-6-16)30(4)29-22(13)27-18-11-19(26-12-25-18)31-15(3)20(14(2)28-31)23(32)9-10-23/h5-8,11-12,32H,9-10H2,1-4H3,(H,25,26,27,29).
What are the key properties of 1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol?
1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol has a molecular weight of 433.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol is sourced from PubChem (CID 134440080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).