N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine

C25H29N5O3 — CID 124975870

About N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine

N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine (PubChem CID 124975870) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
• PubChem CID: 124975870
• Molecular Formula: C25H29N5O3
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.23
• IUPAC Name: N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
• SMILES: COc1ccc2c(c1)C=C(CN1CCO[C@@H](c3cccc(Nc4cc(C)n(C)n4)n3)C1)CO2
• InChI: InChI=1S/C25H29N5O3/c1-17-11-25(28-29(17)2)27-24-6-4-5-21(26-24)23-15-30(9-10-32-23)14-18-12-19-13-20(31-3)7-8-22(19)33-16-18/h4-8,11-13,23H,9-10,14-16H2,1-3H3,(H,26,27,28)/t23-/m1/s1
• InChIKey: LBCOPIRWZVQFKD-HSZRJFAPSA-N
• XLogP: 3.73
• TPSA: 73.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine?

The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine (CID 124975870) is N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine.

What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine?

The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine is COc1ccc2c(c1)C=C(CN1CCO[C@@H](c3cccc(Nc4cc(C)n(C)n4)n3)C1)CO2.

What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine?

The InChIKey is LBCOPIRWZVQFKD-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-17-11-25(28-29(17)2)27-24-6-4-5-21(26-24)23-15-30(9-10-32-23)14-18-12-19-13-20(31-3)7-8-22(19)33-16-18/h4-8,11-13,23H,9-10,14-16H2,1-3H3,(H,26,27,28)/t23-/m1/s1.

What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine?

N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine has a molecular weight of 447.54 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine is sourced from PubChem (CID 124975870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).