2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol

C27H31N7O2 — CID 90398386

About 2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol

2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol (PubChem CID 90398386) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol
• PubChem CID: 90398386
• Molecular Formula: C27H31N7O2
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.25
• IUPAC Name: 2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol
• SMILES: CC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(c6cc(C(C)(C)O)ccn6)CC5)ncn4)c3c2)CC1
• InChI: InChI=1S/C27H31N7O2/c1-26(2,35)18-6-9-28-23(14-18)33-10-12-34(13-11-33)24-16-22(29-17-30-24)25-20-15-19(36-27(3)7-8-27)4-5-21(20)31-32-25/h4-6,9,14-17,35H,7-8,10-13H2,1-3H3,(H,31,32)
• InChIKey: QRNNLULTINKBDX-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 103.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol?

The IUPAC name of 2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol (CID 90398386) is 2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol.

What is the SMILES notation for 2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol?

The canonical SMILES for 2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol is CC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(c6cc(C(C)(C)O)ccn6)CC5)ncn4)c3c2)CC1.

What is the InChIKey of 2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol?

The InChIKey is QRNNLULTINKBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-26(2,35)18-6-9-28-23(14-18)33-10-12-34(13-11-33)24-16-22(29-17-30-24)25-20-15-19(36-27(3)7-8-27)4-5-21(20)31-32-25/h4-6,9,14-17,35H,7-8,10-13H2,1-3H3,(H,31,32).

What are the key properties of 2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol?

2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol has a molecular weight of 485.59 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 90398386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).