trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

C20H26N4O2 — CID 167850465

About trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 167850465) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

• Compound Name: trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
• PubChem CID: 167850465
• Molecular Formula: C20H26N4O2
• Molecular Weight: 354.45 g/mol
• Exact Mass: 354.21
• IUPAC Name: trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
• SMILES: COc1cc(C)c2cc(CN[C@@H]3CC(Cn4cccn4)C[C@H]3O)[nH]c2c1
• InChI: InChI=1S/C20H26N4O2/c1-13-6-16(26-2)10-18-17(13)9-15(23-18)11-21-19-7-14(8-20(19)25)12-24-5-3-4-22-24/h3-6,9-10,14,19-21,23,25H,7-8,11-12H2,1-2H3/t14?,19-,20-/m1/s1
• InChIKey: CTDHQHZQRSFNMZ-LZVFCHHLSA-N
• XLogP: 2.61
• TPSA: 75.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.45
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?

The IUPAC name of trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (CID 167850465) is trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.

What is the SMILES notation for trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?

The canonical SMILES for trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is COc1cc(C)c2cc(CN[C@@H]3CC(Cn4cccn4)C[C@H]3O)[nH]c2c1.

What is the InChIKey of trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?

The InChIKey is CTDHQHZQRSFNMZ-LZVFCHHLSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13-6-16(26-2)10-18-17(13)9-15(23-18)11-21-19-7-14(8-20(19)25)12-24-5-3-4-22-24/h3-6,9-10,14,19-21,23,25H,7-8,11-12H2,1-2H3/t14?,19-,20-/m1/s1.

What are the key properties of trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?

trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 354.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 167850465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).