(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol

C23H29N5O2 — CID 134704805

About (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol

(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 134704805) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol
• PubChem CID: 134704805
• Molecular Formula: C23H29N5O2
• Molecular Weight: 407.52 g/mol
• Exact Mass: 407.23
• IUPAC Name: (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol
• SMILES: Cc1cc(C[C@@H]2CN(Cc3cc4ccccc4nc3N3CCOCC3)C[C@@H]2O)n[nH]1
• InChI: InChI=1S/C23H29N5O2/c1-16-10-20(26-25-16)12-18-13-27(15-22(18)29)14-19-11-17-4-2-3-5-21(17)24-23(19)28-6-8-30-9-7-28/h2-5,10-11,18,22,29H,6-9,12-15H2,1H3,(H,25,26)/t18-,22+/m1/s1
• InChIKey: ZGMZTTRRUFMQLY-GCJKJVERSA-N
• XLogP: 2.14
• TPSA: 77.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.52
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol?

The IUPAC name of (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol (CID 134704805) is (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol.

What is the SMILES notation for (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol?

The canonical SMILES for (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol is Cc1cc(C[C@@H]2CN(Cc3cc4ccccc4nc3N3CCOCC3)C[C@@H]2O)n[nH]1.

What is the InChIKey of (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol?

The InChIKey is ZGMZTTRRUFMQLY-GCJKJVERSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16-10-20(26-25-16)12-18-13-27(15-22(18)29)14-19-11-17-4-2-3-5-21(17)24-23(19)28-6-8-30-9-7-28/h2-5,10-11,18,22,29H,6-9,12-15H2,1H3,(H,25,26)/t18-,22+/m1/s1.

What are the key properties of (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol?

(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 407.52 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 134704805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).