1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one

C24H25FN8O3S — CID 155282144

IUPAC1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one
SMILESCC(C)c1cnn2ccc(-c3nc(Nc4ccc(N5CCN(S(C)(=O)=O)CC5=O)cn4)ncc3F)cc12
InChIInChI=1S/C24H25FN8O3S/c1-15(2)18-12-28-33-7-6-16(10-20(18)33)23-19(25)13-27-24(30-23)29-21-5-4-17(11-26-21)32-9-8-31(14-22(32)34)37(3,35)36/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,26,27,29,30)
InChIKeyOWFNLIJTIUEXIH-UHFFFAOYSA-N
MW524.58 g/mol
LogP2.80
Rot. Bonds6

About 1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one

1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one (PubChem CID 155282144) has the molecular formula C24H25FN8O3S and a molecular weight of 524.58 g/mol. Its IUPAC name is 1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one
PubChem CID155282144
Molecular FormulaC24H25FN8O3S
Molecular Weight524.58 g/mol
Exact Mass524.18
IUPAC Name1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one
SMILESCC(C)c1cnn2ccc(-c3nc(Nc4ccc(N5CCN(S(C)(=O)=O)CC5=O)cn4)ncc3F)cc12
InChIInChI=1S/C24H25FN8O3S/c1-15(2)18-12-28-33-7-6-16(10-20(18)33)23-19(25)13-27-24(30-23)29-21-5-4-17(11-26-21)32-9-8-31(14-22(32)34)37(3,35)36/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,26,27,29,30)
InChIKeyOWFNLIJTIUEXIH-UHFFFAOYSA-N
XLogP2.80
TPSA125.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.58
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one?
The IUPAC name of 1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one (CID 155282144) is 1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one.
What is the SMILES notation for 1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one?
The canonical SMILES for 1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one is CC(C)c1cnn2ccc(-c3nc(Nc4ccc(N5CCN(S(C)(=O)=O)CC5=O)cn4)ncc3F)cc12.
What is the InChIKey of 1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one?
The InChIKey is OWFNLIJTIUEXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O3S/c1-15(2)18-12-28-33-7-6-16(10-20(18)33)23-19(25)13-27-24(30-23)29-21-5-4-17(11-26-21)32-9-8-31(14-22(32)34)37(3,35)36/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,26,27,29,30).
What are the key properties of 1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one?
1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one has a molecular weight of 524.58 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylsulfonylpiperazin-2-one is sourced from PubChem (CID 155282144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).