[3-[2-[5-chloro-2-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol

C26H30ClN5O2 — CID 158332806

About [3-[2-[5-chloro-2-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol

[3-[2-[5-chloro-2-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol (PubChem CID 158332806) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is [3-[2-[5-chloro-2-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol.

Molecular Properties

• Compound Name: [3-[2-[5-chloro-2-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol
• PubChem CID: 158332806
• Molecular Formula: C26H30ClN5O2
• Molecular Weight: 480.01 g/mol
• Exact Mass: 479.21
• IUPAC Name: [3-[2-[5-chloro-2-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol
• SMILES: CN1CCC(Oc2ccc(Cl)cc2Nc2nccc(-c3cnc4c(c3)C(C)(CO)CC4)n2)CC1
• InChI: InChI=1S/C26H30ClN5O2/c1-26(16-33)9-5-22-20(26)13-17(15-29-22)21-6-10-28-25(30-21)31-23-14-18(27)3-4-24(23)34-19-7-11-32(2)12-8-19/h3-4,6,10,13-15,19,33H,5,7-9,11-12,16H2,1-2H3,(H,28,30,31)
• InChIKey: GQFFPDWSDXERAF-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 83.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.01
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-[2-[5-chloro-2-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol?

The IUPAC name of [3-[2-[5-chloro-2-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol (CID 158332806) is [3-[2-[5-chloro-2-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol.

What is the SMILES notation for [3-[2-[5-chloro-2-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol?

The canonical SMILES for [3-[2-[5-chloro-2-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol is CN1CCC(Oc2ccc(Cl)cc2Nc2nccc(-c3cnc4c(c3)C(C)(CO)CC4)n2)CC1.

What is the InChIKey of [3-[2-[5-chloro-2-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol?

The InChIKey is GQFFPDWSDXERAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c1-26(16-33)9-5-22-20(26)13-17(15-29-22)21-6-10-28-25(30-21)31-23-14-18(27)3-4-24(23)34-19-7-11-32(2)12-8-19/h3-4,6,10,13-15,19,33H,5,7-9,11-12,16H2,1-2H3,(H,28,30,31).

What are the key properties of [3-[2-[5-chloro-2-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol?

[3-[2-[5-chloro-2-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol has a molecular weight of 480.01 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[5-chloro-2-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol is sourced from PubChem (CID 158332806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).