[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone

C23H22ClN7O — CID 71233748

About [7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone

[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 71233748) has the molecular formula C23H22ClN7O and a molecular weight of 447.93 g/mol. Its IUPAC name is [7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
• PubChem CID: 71233748
• Molecular Formula: C23H22ClN7O
• Molecular Weight: 447.93 g/mol
• Exact Mass: 447.16
• IUPAC Name: [7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
• SMILES: CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5ccccn5)n4)cc(Cl)c3[nH]2)CC1
• InChI: InChI=1S/C23H22ClN7O/c1-30-8-10-31(11-9-30)22(32)20-13-15-12-16(14-17(24)21(15)28-20)27-23-26-7-5-19(29-23)18-4-2-3-6-25-18/h2-7,12-14,28H,8-11H2,1H3,(H,26,27,29)
• InChIKey: SVTFPZTVCDNTHD-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 90.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.93
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone?

The IUPAC name of [7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 71233748) is [7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone.

What is the SMILES notation for [7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone?

The canonical SMILES for [7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5ccccn5)n4)cc(Cl)c3[nH]2)CC1.

What is the InChIKey of [7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone?

The InChIKey is SVTFPZTVCDNTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O/c1-30-8-10-31(11-9-30)22(32)20-13-15-12-16(14-17(24)21(15)28-20)27-23-26-7-5-19(29-23)18-4-2-3-6-25-18/h2-7,12-14,28H,8-11H2,1H3,(H,26,27,29).

What are the key properties of [7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone?

[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 447.93 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 71233748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).