N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-1H-indol-5-yl)oxy]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine

C27H26FN9O — CID 90147432

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-1H-indol-5-yl)oxy]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-1H-indol-5-yl)oxy]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 90147432) has the molecular formula C27H26FN9O and a molecular weight of 511.57 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-1H-indol-5-yl)oxy]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-1H-indol-5-yl)oxy]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine
• PubChem CID: 90147432
• Molecular Formula: C27H26FN9O
• Molecular Weight: 511.57 g/mol
• Exact Mass: 511.22
• IUPAC Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-1H-indol-5-yl)oxy]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine
• SMILES: Fc1c(Oc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(c4ccncc4)CC3)n2)ccc2[nH]ccc12
• InChI: InChI=1S/C27H26FN9O/c28-26-19-7-10-30-20(19)3-4-22(26)38-27-32-23(31-24-15-21(34-35-24)17-1-2-17)16-25(33-27)37-13-11-36(12-14-37)18-5-8-29-9-6-18/h3-10,15-17,30H,1-2,11-14H2,(H2,31,32,33,34,35)
• InChIKey: ZYFFNWJZECKWAI-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 110.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.57
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-1H-indol-5-yl)oxy]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine?

The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-1H-indol-5-yl)oxy]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine (CID 90147432) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-1H-indol-5-yl)oxy]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine.

What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-1H-indol-5-yl)oxy]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine?

The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-1H-indol-5-yl)oxy]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine is Fc1c(Oc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(c4ccncc4)CC3)n2)ccc2[nH]ccc12.

What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-1H-indol-5-yl)oxy]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine?

The InChIKey is ZYFFNWJZECKWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN9O/c28-26-19-7-10-30-20(19)3-4-22(26)38-27-32-23(31-24-15-21(34-35-24)17-1-2-17)16-25(33-27)37-13-11-36(12-14-37)18-5-8-29-9-6-18/h3-10,15-17,30H,1-2,11-14H2,(H2,31,32,33,34,35).

What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-1H-indol-5-yl)oxy]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine?

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-1H-indol-5-yl)oxy]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 511.57 g/mol, XLogP of 4.95, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-1H-indol-5-yl)oxy]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 90147432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).