[(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol

C32H32N4O3 — CID 170629428

About [(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol

[(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol (PubChem CID 170629428) has the molecular formula C32H32N4O3 and a molecular weight of 520.63 g/mol. Its IUPAC name is [(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

• Compound Name: [(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol
• PubChem CID: 170629428
• Molecular Formula: C32H32N4O3
• Molecular Weight: 520.63 g/mol
• Exact Mass: 520.25
• IUPAC Name: [(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol
• SMILES: Cn1nc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2ccc(N3CC[C@@H](CO)C3)cc21
• InChI: InChI=1S/C32H32N4O3/c1-35-29-18-26(36-17-16-25(19-36)20-37)12-13-27(29)31(34-35)28-14-15-30(38-21-23-8-4-2-5-9-23)33-32(28)39-22-24-10-6-3-7-11-24/h2-15,18,25,37H,16-17,19-22H2,1H3/t25-/m1/s1
• InChIKey: GUADGMIEJDUUJX-RUZDIDTESA-N
• XLogP: 5.61
• TPSA: 72.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.63
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol?

The IUPAC name of [(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol (CID 170629428) is [(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol.

What is the SMILES notation for [(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol?

The canonical SMILES for [(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol is Cn1nc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2ccc(N3CC[C@@H](CO)C3)cc21.

What is the InChIKey of [(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol?

The InChIKey is GUADGMIEJDUUJX-RUZDIDTESA-N. The full InChI is InChI=1S/C32H32N4O3/c1-35-29-18-26(36-17-16-25(19-36)20-37)12-13-27(29)31(34-35)28-14-15-30(38-21-23-8-4-2-5-9-23)33-32(28)39-22-24-10-6-3-7-11-24/h2-15,18,25,37H,16-17,19-22H2,1H3/t25-/m1/s1.

What are the key properties of [(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol?

[(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol has a molecular weight of 520.63 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 170629428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).