(4-morpholin-4-ylpiperidin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydro-1H-indol-2-yl]methanone

C27H31N7O2 — CID 123690858

About (4-morpholin-4-ylpiperidin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydro-1H-indol-2-yl]methanone

(4-morpholin-4-ylpiperidin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydro-1H-indol-2-yl]methanone (PubChem CID 123690858) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is (4-morpholin-4-ylpiperidin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydro-1H-indol-2-yl]methanone.

Molecular Properties

• Compound Name: (4-morpholin-4-ylpiperidin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydro-1H-indol-2-yl]methanone
• PubChem CID: 123690858
• Molecular Formula: C27H31N7O2
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.25
• IUPAC Name: (4-morpholin-4-ylpiperidin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydro-1H-indol-2-yl]methanone
• SMILES: O=C(C1Cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2N1)N1CCC(N2CCOCC2)CC1
• InChI: InChI=1S/C27H31N7O2/c35-26(34-11-7-21(8-12-34)33-13-15-36-16-14-33)25-18-19-17-20(4-5-22(19)31-25)30-27-29-10-6-24(32-27)23-3-1-2-9-28-23/h1-6,9-10,17,21,25,31H,7-8,11-16,18H2,(H,29,30,32)
• InChIKey: ADHKEEHHVIEWGQ-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 95.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydro-1H-indol-2-yl]methanone?

The IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydro-1H-indol-2-yl]methanone (CID 123690858) is (4-morpholin-4-ylpiperidin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydro-1H-indol-2-yl]methanone.

What is the SMILES notation for (4-morpholin-4-ylpiperidin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydro-1H-indol-2-yl]methanone?

The canonical SMILES for (4-morpholin-4-ylpiperidin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydro-1H-indol-2-yl]methanone is O=C(C1Cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2N1)N1CCC(N2CCOCC2)CC1.

What is the InChIKey of (4-morpholin-4-ylpiperidin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydro-1H-indol-2-yl]methanone?

The InChIKey is ADHKEEHHVIEWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c35-26(34-11-7-21(8-12-34)33-13-15-36-16-14-33)25-18-19-17-20(4-5-22(19)31-25)30-27-29-10-6-24(32-27)23-3-1-2-9-28-23/h1-6,9-10,17,21,25,31H,7-8,11-16,18H2,(H,29,30,32).

What are the key properties of (4-morpholin-4-ylpiperidin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydro-1H-indol-2-yl]methanone?

(4-morpholin-4-ylpiperidin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydro-1H-indol-2-yl]methanone has a molecular weight of 485.59 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4-morpholin-4-ylpiperidin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydro-1H-indol-2-yl]methanone is sourced from PubChem (CID 123690858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).