4-[(2S)-4-hydroxybutan-2-yl]oxy-2-[1-(oxan-2-yl)-3-(1H-pyrazol-4-yl)indazol-5-yl]butan-1-ol

C23H32N4O4 — CID 174172992

About 4-[(2S)-4-hydroxybutan-2-yl]oxy-2-[1-(oxan-2-yl)-3-(1H-pyrazol-4-yl)indazol-5-yl]butan-1-ol

4-[(2S)-4-hydroxybutan-2-yl]oxy-2-[1-(oxan-2-yl)-3-(1H-pyrazol-4-yl)indazol-5-yl]butan-1-ol (PubChem CID 174172992) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 4-[(2S)-4-hydroxybutan-2-yl]oxy-2-[1-(oxan-2-yl)-3-(1H-pyrazol-4-yl)indazol-5-yl]butan-1-ol.

Molecular Properties

• Compound Name: 4-[(2S)-4-hydroxybutan-2-yl]oxy-2-[1-(oxan-2-yl)-3-(1H-pyrazol-4-yl)indazol-5-yl]butan-1-ol
• PubChem CID: 174172992
• Molecular Formula: C23H32N4O4
• Molecular Weight: 428.53 g/mol
• Exact Mass: 428.24
• IUPAC Name: 4-[(2S)-4-hydroxybutan-2-yl]oxy-2-[1-(oxan-2-yl)-3-(1H-pyrazol-4-yl)indazol-5-yl]butan-1-ol
• SMILES: C[C@@H](CCO)OCCC(CO)c1ccc2c(c1)c(-c1cn[nH]c1)nn2C1CCCCO1
• InChI: InChI=1S/C23H32N4O4/c1-16(7-9-28)30-11-8-18(15-29)17-5-6-21-20(12-17)23(19-13-24-25-14-19)26-27(21)22-4-2-3-10-31-22/h5-6,12-14,16,18,22,28-29H,2-4,7-11,15H2,1H3,(H,24,25)/t16-,18?,22?/m0/s1
• InChIKey: SJJSAHGYMSRHTO-GENZYMQKSA-N
• XLogP: 3.38
• TPSA: 105.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.53
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4-hydroxybutan-2-yl]oxy-2-[1-(oxan-2-yl)-3-(1H-pyrazol-4-yl)indazol-5-yl]butan-1-ol?

The IUPAC name of 4-[(2S)-4-hydroxybutan-2-yl]oxy-2-[1-(oxan-2-yl)-3-(1H-pyrazol-4-yl)indazol-5-yl]butan-1-ol (CID 174172992) is 4-[(2S)-4-hydroxybutan-2-yl]oxy-2-[1-(oxan-2-yl)-3-(1H-pyrazol-4-yl)indazol-5-yl]butan-1-ol.

What is the SMILES notation for 4-[(2S)-4-hydroxybutan-2-yl]oxy-2-[1-(oxan-2-yl)-3-(1H-pyrazol-4-yl)indazol-5-yl]butan-1-ol?

The canonical SMILES for 4-[(2S)-4-hydroxybutan-2-yl]oxy-2-[1-(oxan-2-yl)-3-(1H-pyrazol-4-yl)indazol-5-yl]butan-1-ol is C[C@@H](CCO)OCCC(CO)c1ccc2c(c1)c(-c1cn[nH]c1)nn2C1CCCCO1.

What is the InChIKey of 4-[(2S)-4-hydroxybutan-2-yl]oxy-2-[1-(oxan-2-yl)-3-(1H-pyrazol-4-yl)indazol-5-yl]butan-1-ol?

The InChIKey is SJJSAHGYMSRHTO-GENZYMQKSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-16(7-9-28)30-11-8-18(15-29)17-5-6-21-20(12-17)23(19-13-24-25-14-19)26-27(21)22-4-2-3-10-31-22/h5-6,12-14,16,18,22,28-29H,2-4,7-11,15H2,1H3,(H,24,25)/t16-,18?,22?/m0/s1.

What are the key properties of 4-[(2S)-4-hydroxybutan-2-yl]oxy-2-[1-(oxan-2-yl)-3-(1H-pyrazol-4-yl)indazol-5-yl]butan-1-ol?

4-[(2S)-4-hydroxybutan-2-yl]oxy-2-[1-(oxan-2-yl)-3-(1H-pyrazol-4-yl)indazol-5-yl]butan-1-ol has a molecular weight of 428.53 g/mol, XLogP of 3.38, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S)-4-hydroxybutan-2-yl]oxy-2-[1-(oxan-2-yl)-3-(1H-pyrazol-4-yl)indazol-5-yl]butan-1-ol is sourced from PubChem (CID 174172992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).