(1R)-3-[(S)-amino-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methyl]cyclopentan-1-ol

C24H25N5O2 — CID 165436991

About (1R)-3-[(S)-amino-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methyl]cyclopentan-1-ol

(1R)-3-[(S)-amino-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methyl]cyclopentan-1-ol (PubChem CID 165436991) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is (1R)-3-[(S)-amino-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methyl]cyclopentan-1-ol.

Molecular Properties

• Compound Name: (1R)-3-[(S)-amino-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methyl]cyclopentan-1-ol
• PubChem CID: 165436991
• Molecular Formula: C24H25N5O2
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.20
• IUPAC Name: (1R)-3-[(S)-amino-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methyl]cyclopentan-1-ol
• SMILES: N[C@H](c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1)C1CC[C@@H](O)C1
• InChI: InChI=1S/C24H25N5O2/c25-24(16-9-10-19(31)11-16)21-5-2-4-20(28-21)15-7-8-17-13-26-29(22(17)12-15)23-6-1-3-18(14-30)27-23/h1-8,12-13,16,19,24,30-31H,9-11,14,25H2/t16?,19-,24+/m1/s1
• InChIKey: LGYDYSVOLLNJJF-SXUAYIDQSA-N
• XLogP: 3.14
• TPSA: 110.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1R)-3-[(S)-amino-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methyl]cyclopentan-1-ol?

The IUPAC name of (1R)-3-[(S)-amino-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methyl]cyclopentan-1-ol (CID 165436991) is (1R)-3-[(S)-amino-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methyl]cyclopentan-1-ol.

What is the SMILES notation for (1R)-3-[(S)-amino-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methyl]cyclopentan-1-ol?

The canonical SMILES for (1R)-3-[(S)-amino-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methyl]cyclopentan-1-ol is N[C@H](c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1)C1CC[C@@H](O)C1.

What is the InChIKey of (1R)-3-[(S)-amino-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methyl]cyclopentan-1-ol?

The InChIKey is LGYDYSVOLLNJJF-SXUAYIDQSA-N. The full InChI is InChI=1S/C24H25N5O2/c25-24(16-9-10-19(31)11-16)21-5-2-4-20(28-21)15-7-8-17-13-26-29(22(17)12-15)23-6-1-3-18(14-30)27-23/h1-8,12-13,16,19,24,30-31H,9-11,14,25H2/t16?,19-,24+/m1/s1.

What are the key properties of (1R)-3-[(S)-amino-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methyl]cyclopentan-1-ol?

(1R)-3-[(S)-amino-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methyl]cyclopentan-1-ol has a molecular weight of 415.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-3-[(S)-amino-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methyl]cyclopentan-1-ol is sourced from PubChem (CID 165436991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).