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

C25H23F2N9O2S — CID 169155790

IUPAC5-cyclopropyl-2-N-(2,6-difluoro-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)c3c(F)cc(S(C)(=O)=O)cc3F)nc(-c3cnn4cccnc34)c2C2CC2)n[nH]1
InChIInChI=1S/C25H23F2N9O2S/c1-13-9-19(34-33-13)30-23-20(14-5-6-14)21(16-12-29-36-8-4-7-28-24(16)36)31-25(32-23)35(2)22-17(26)10-15(11-18(22)27)39(3,37)38/h4,7-12,14H,5-6H2,1-3H3,(H2,30,31,32,33,34)
InChIKeyBMPSXMWSTPCJHN-UHFFFAOYSA-N
MW551.58 g/mol
LogP4.29
Rot. Bonds7

About 5-cyclopropyl-2-N-(2,6-difluoro-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-(2,6-difluoro-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 169155790) has the molecular formula C25H23F2N9O2S and a molecular weight of 551.58 g/mol. Its IUPAC name is 5-cyclopropyl-2-N-(2,6-difluoro-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-(2,6-difluoro-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 CID169155790
Molecular FormulaC25H23F2N9O2S
Molecular Weight551.58 g/mol
Exact Mass551.17
IUPAC Name5-cyclopropyl-2-N-(2,6-difluoro-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)c3c(F)cc(S(C)(=O)=O)cc3F)nc(-c3cnn4cccnc34)c2C2CC2)n[nH]1
InChIInChI=1S/C25H23F2N9O2S/c1-13-9-19(34-33-13)30-23-20(14-5-6-14)21(16-12-29-36-8-4-7-28-24(16)36)31-25(32-23)35(2)22-17(26)10-15(11-18(22)27)39(3,37)38/h4,7-12,14H,5-6H2,1-3H3,(H2,30,31,32,33,34)
InChIKeyBMPSXMWSTPCJHN-UHFFFAOYSA-N
XLogP4.29
TPSA134.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.58
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Launch Full Analysis

Related Compounds

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[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[3-(1-methyl-piperidin-4-yl)-phenyl]-amine
CID 57502388
Plk4-IN-4
CID 168279678
7-cyclohexyl-6-[4-(3-methylsulfonylphenyl)phenyl]-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958116
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CID 138105933
N,N-dimethyl-4-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide
CID 118720612
(6R)-6-methyl-3-(4-methylsulfonylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118720613
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CID 10432939
6-(1h-Indazol-4-yl)-1-methyl-n-(4-(methylsulfonyl)phenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 44180268
6-(1h-Indazol-4-yl)-1-methyl-4-(4-(methylsulfonyl)phenyl)-1h-pyrazolo[3,4-d]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-N-(2,6-difluoro-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-(2,6-difluoro-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 169155790) is 5-cyclopropyl-2-N-(2,6-difluoro-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-(2,6-difluoro-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-(2,6-difluoro-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)c3c(F)cc(S(C)(=O)=O)cc3F)nc(-c3cnn4cccnc34)c2C2CC2)n[nH]1.
What is the InChIKey of 5-cyclopropyl-2-N-(2,6-difluoro-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 BMPSXMWSTPCJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N9O2S/c1-13-9-19(34-33-13)30-23-20(14-5-6-14)21(16-12-29-36-8-4-7-28-24(16)36)31-25(32-23)35(2)22-17(26)10-15(11-18(22)27)39(3,37)38/h4,7-12,14H,5-6H2,1-3H3,(H2,30,31,32,33,34).
What are the key properties of 5-cyclopropyl-2-N-(2,6-difluoro-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-(2,6-difluoro-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 551.58 g/mol, XLogP of 4.29, 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-(2,6-difluoro-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 169155790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).