5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine

C25H24FN9O2S — CID 169155842

IUPAC5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(N(C)c3ccc(S(C)(=O)=O)cc3F)nc(-c3cnn4cccnc34)c2C2CC2)n[nH]1
InChIInChI=1S/C25H24FN9O2S/c1-14-11-20(33-32-14)29-23-21(15-5-6-15)22(17-13-28-35-10-4-9-27-24(17)35)30-25(31-23)34(2)19-8-7-16(12-18(19)26)38(3,36)37/h4,7-13,15H,5-6H2,1-3H3,(H2,29,30,31,32,33)
InChIKeyFSYSHRJZUNFMGU-UHFFFAOYSA-N
MW533.59 g/mol
LogP4.15
Rot. Bonds7

About 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine

5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine (PubChem CID 169155842) has the molecular formula C25H24FN9O2S and a molecular weight of 533.59 g/mol. Its IUPAC name is 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine
PubChem CID169155842
Molecular FormulaC25H24FN9O2S
Molecular Weight533.59 g/mol
Exact Mass533.18
IUPAC Name5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(N(C)c3ccc(S(C)(=O)=O)cc3F)nc(-c3cnn4cccnc34)c2C2CC2)n[nH]1
InChIInChI=1S/C25H24FN9O2S/c1-14-11-20(33-32-14)29-23-21(15-5-6-15)22(17-13-28-35-10-4-9-27-24(17)35)30-25(31-23)34(2)19-8-7-16(12-18(19)26)38(3,36)37/h4,7-13,15H,5-6H2,1-3H3,(H2,29,30,31,32,33)
InChIKeyFSYSHRJZUNFMGU-UHFFFAOYSA-N
XLogP4.15
TPSA134.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.59
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine (CID 169155842) is 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine is Cc1cc(Nc2nc(N(C)c3ccc(S(C)(=O)=O)cc3F)nc(-c3cnn4cccnc34)c2C2CC2)n[nH]1.
What is the InChIKey of 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine?
The InChIKey is FSYSHRJZUNFMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN9O2S/c1-14-11-20(33-32-14)29-23-21(15-5-6-15)22(17-13-28-35-10-4-9-27-24(17)35)30-25(31-23)34(2)19-8-7-16(12-18(19)26)38(3,36)37/h4,7-13,15H,5-6H2,1-3H3,(H2,29,30,31,32,33).
What are the key properties of 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine?
5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine has a molecular weight of 533.59 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 169155842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).