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

C27H31FN8O — CID 155281861

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

4-[2-fluoroethyl(methyl)amino]-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one (PubChem CID 155281861) has the molecular formula C27H31FN8O and a molecular weight of 502.60 g/mol. Its IUPAC name is 4-[2-fluoroethyl(methyl)amino]-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one.

Molecular Properties

• Compound Name: 4-[2-fluoroethyl(methyl)amino]-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
• PubChem CID: 155281861
• Molecular Formula: C27H31FN8O
• Molecular Weight: 502.60 g/mol
• Exact Mass: 502.26
• IUPAC Name: 4-[2-fluoroethyl(methyl)amino]-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
• SMILES: CC(C)c1cnn2ccc(-c3ccnc(Nc4ccc(N5CCC(N(C)CCF)CC5=O)cn4)n3)cc12
• InChI: InChI=1S/C27H31FN8O/c1-18(2)22-17-31-36-12-7-19(14-24(22)36)23-6-10-29-27(32-23)33-25-5-4-21(16-30-25)35-11-8-20(15-26(35)37)34(3)13-9-28/h4-7,10,12,14,16-18,20H,8-9,11,13,15H2,1-3H3,(H,29,30,32,33)
• InChIKey: GAGQJXUDHRCURT-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 91.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.60
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoroethyl(methyl)amino]-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one?

The IUPAC name of 4-[2-fluoroethyl(methyl)amino]-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one (CID 155281861) is 4-[2-fluoroethyl(methyl)amino]-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one.

What is the SMILES notation for 4-[2-fluoroethyl(methyl)amino]-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one?

The canonical SMILES for 4-[2-fluoroethyl(methyl)amino]-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one is CC(C)c1cnn2ccc(-c3ccnc(Nc4ccc(N5CCC(N(C)CCF)CC5=O)cn4)n3)cc12.

What is the InChIKey of 4-[2-fluoroethyl(methyl)amino]-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one?

The InChIKey is GAGQJXUDHRCURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN8O/c1-18(2)22-17-31-36-12-7-19(14-24(22)36)23-6-10-29-27(32-23)33-25-5-4-21(16-30-25)35-11-8-20(15-26(35)37)34(3)13-9-28/h4-7,10,12,14,16-18,20H,8-9,11,13,15H2,1-3H3,(H,29,30,32,33).

What are the key properties of 4-[2-fluoroethyl(methyl)amino]-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one?

4-[2-fluoroethyl(methyl)amino]-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one has a molecular weight of 502.60 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-fluoroethyl(methyl)amino]-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one is sourced from PubChem (CID 155281861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).