1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone

C25H27FN8O2 — CID 67374305

IUPAC1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(c2ccc(Nc3ncc(F)c(-c4cnn5ccccc45)n3)c(OC)c2)CC1
InChIInChI=1S/C25H27FN8O2/c1-27-16-23(35)33-11-9-32(10-12-33)17-6-7-20(22(13-17)36-2)30-25-28-15-19(26)24(31-25)18-14-29-34-8-4-3-5-21(18)34/h3-8,13-15,27H,9-12,16H2,1-2H3,(H,28,30,31)
InChIKeyCBNRDHQVSADYTF-UHFFFAOYSA-N
MW490.54 g/mol
LogP2.55
Rot. Bonds7

About 1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone

1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone (PubChem CID 67374305) has the molecular formula C25H27FN8O2 and a molecular weight of 490.54 g/mol. Its IUPAC name is 1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone
PubChem CID67374305
Molecular FormulaC25H27FN8O2
Molecular Weight490.54 g/mol
Exact Mass490.22
IUPAC Name1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(c2ccc(Nc3ncc(F)c(-c4cnn5ccccc45)n3)c(OC)c2)CC1
InChIInChI=1S/C25H27FN8O2/c1-27-16-23(35)33-11-9-32(10-12-33)17-6-7-20(22(13-17)36-2)30-25-28-15-19(26)24(31-25)18-14-29-34-8-4-3-5-21(18)34/h3-8,13-15,27H,9-12,16H2,1-2H3,(H,28,30,31)
InChIKeyCBNRDHQVSADYTF-UHFFFAOYSA-N
XLogP2.55
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone (CID 67374305) is 1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCN(c2ccc(Nc3ncc(F)c(-c4cnn5ccccc45)n3)c(OC)c2)CC1.
What is the InChIKey of 1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone?
The InChIKey is CBNRDHQVSADYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O2/c1-27-16-23(35)33-11-9-32(10-12-33)17-6-7-20(22(13-17)36-2)30-25-28-15-19(26)24(31-25)18-14-29-34-8-4-3-5-21(18)34/h3-8,13-15,27H,9-12,16H2,1-2H3,(H,28,30,31).
What are the key properties of 1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone?
1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone has a molecular weight of 490.54 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 67374305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).