5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine

C21H20FN5O2S — CID 155281921

IUPAC5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine
SMILESCC(C)c1cnn2ccc(-c3nc(Nc4ccc(S(C)(=O)=O)cc4)ncc3F)cc12
InChIInChI=1S/C21H20FN5O2S/c1-13(2)17-11-24-27-9-8-14(10-19(17)27)20-18(22)12-23-21(26-20)25-15-4-6-16(7-5-15)30(3,28)29/h4-13H,1-3H3,(H,23,25,26)
InChIKeySNXCGAUAPLBSNM-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.20
Rot. Bonds5

About 5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine

5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine (PubChem CID 155281921) has the molecular formula C21H20FN5O2S and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine
PubChem CID155281921
Molecular FormulaC21H20FN5O2S
Molecular Weight425.49 g/mol
Exact Mass425.13
IUPAC Name5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine
SMILESCC(C)c1cnn2ccc(-c3nc(Nc4ccc(S(C)(=O)=O)cc4)ncc3F)cc12
InChIInChI=1S/C21H20FN5O2S/c1-13(2)17-11-24-27-9-8-14(10-19(17)27)20-18(22)12-23-21(26-20)25-15-4-6-16(7-5-15)30(3,28)29/h4-13H,1-3H3,(H,23,25,26)
InChIKeySNXCGAUAPLBSNM-UHFFFAOYSA-N
XLogP4.20
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 155282165
5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 167438289
1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione
CID 155281910
3-(dimethylamino)-1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one
CID 155282265
4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one
CID 167701246
4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-1-(2-hydroxyethyl)-1,4-diazepan-5-one
CID 167677953
5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 167554912
3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one
CID 155282339
5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine
CID 59588148
5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 23645575
(2R,3R)-3-[2-(4-methylsulfonylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxybutan-2-ol
CID 45381193
N,8-bis(4-methylsulfonylphenyl)quinazolin-2-amine
CID 175553544

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine (CID 155281921) is 5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine is CC(C)c1cnn2ccc(-c3nc(Nc4ccc(S(C)(=O)=O)cc4)ncc3F)cc12.
What is the InChIKey of 5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine?
The InChIKey is SNXCGAUAPLBSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2S/c1-13(2)17-11-24-27-9-8-14(10-19(17)27)20-18(22)12-23-21(26-20)25-15-4-6-16(7-5-15)30(3,28)29/h4-13H,1-3H3,(H,23,25,26).
What are the key properties of 5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine?
5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine has a molecular weight of 425.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 155281921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).