2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine

C24H26FN7S — CID 153410151

IUPAC2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine
SMILESCSc1c(C)nn(-c2cc(N)nc(-c3c(C)c(-c4ccc(F)cc4)nn3CC3CC3)n2)c1C
InChIInChI=1S/C24H26FN7S/c1-13-21(17-7-9-18(25)10-8-17)30-31(12-16-5-6-16)22(13)24-27-19(26)11-20(28-24)32-15(3)23(33-4)14(2)29-32/h7-11,16H,5-6,12H2,1-4H3,(H2,26,27,28)
InChIKeyXMAIKTXZCVIAHY-UHFFFAOYSA-N
MW463.59 g/mol
LogP4.97
Rot. Bonds6

About 2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine

2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 153410151) has the molecular formula C24H26FN7S and a molecular weight of 463.59 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID153410151
Molecular FormulaC24H26FN7S
Molecular Weight463.59 g/mol
Exact Mass463.20
IUPAC Name2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine
SMILESCSc1c(C)nn(-c2cc(N)nc(-c3c(C)c(-c4ccc(F)cc4)nn3CC3CC3)n2)c1C
InChIInChI=1S/C24H26FN7S/c1-13-21(17-7-9-18(25)10-8-17)30-31(12-16-5-6-16)22(13)24-27-19(26)11-20(28-24)32-15(3)23(33-4)14(2)29-32/h7-11,16H,5-6,12H2,1-4H3,(H2,26,27,28)
InChIKeyXMAIKTXZCVIAHY-UHFFFAOYSA-N
XLogP4.97
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine (CID 153410151) is 2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine is CSc1c(C)nn(-c2cc(N)nc(-c3c(C)c(-c4ccc(F)cc4)nn3CC3CC3)n2)c1C.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is XMAIKTXZCVIAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7S/c1-13-21(17-7-9-18(25)10-8-17)30-31(12-16-5-6-16)22(13)24-27-19(26)11-20(28-24)32-15(3)23(33-4)14(2)29-32/h7-11,16H,5-6,12H2,1-4H3,(H2,26,27,28).
What are the key properties of 2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine?
2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 463.59 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 153410151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).