methyl 3-[[1-(cyclopropylmethyl)-5-[3-(3,5-dimethylphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate

C26H34N4O4 — CID 26145274

About methyl 3-[[1-(cyclopropylmethyl)-5-[3-(3,5-dimethylphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate

methyl 3-[[1-(cyclopropylmethyl)-5-[3-(3,5-dimethylphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate (PubChem CID 26145274) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is methyl 3-[[1-(cyclopropylmethyl)-5-[3-(3,5-dimethylphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate.

Molecular Properties

• Compound Name: methyl 3-[[1-(cyclopropylmethyl)-5-[3-(3,5-dimethylphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate
• PubChem CID: 26145274
• Molecular Formula: C26H34N4O4
• Molecular Weight: 466.58 g/mol
• Exact Mass: 466.26
• IUPAC Name: methyl 3-[[1-(cyclopropylmethyl)-5-[3-(3,5-dimethylphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate
• SMILES: COC(=O)CCNC(=O)c1nn(CC2CC2)c2c1CN(C(=O)CCc1cc(C)cc(C)c1)CC2
• InChI: InChI=1S/C26H34N4O4/c1-17-12-18(2)14-20(13-17)6-7-23(31)29-11-9-22-21(16-29)25(28-30(22)15-19-4-5-19)26(33)27-10-8-24(32)34-3/h12-14,19H,4-11,15-16H2,1-3H3,(H,27,33)
• InChIKey: UGIXCVRPMPJHFF-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.58
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(cyclopropylmethyl)-5-[3-(3,5-dimethylphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate?

The IUPAC name of methyl 3-[[1-(cyclopropylmethyl)-5-[3-(3,5-dimethylphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate (CID 26145274) is methyl 3-[[1-(cyclopropylmethyl)-5-[3-(3,5-dimethylphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate.

What is the SMILES notation for methyl 3-[[1-(cyclopropylmethyl)-5-[3-(3,5-dimethylphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate?

The canonical SMILES for methyl 3-[[1-(cyclopropylmethyl)-5-[3-(3,5-dimethylphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate is COC(=O)CCNC(=O)c1nn(CC2CC2)c2c1CN(C(=O)CCc1cc(C)cc(C)c1)CC2.

What is the InChIKey of methyl 3-[[1-(cyclopropylmethyl)-5-[3-(3,5-dimethylphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate?

The InChIKey is UGIXCVRPMPJHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-17-12-18(2)14-20(13-17)6-7-23(31)29-11-9-22-21(16-29)25(28-30(22)15-19-4-5-19)26(33)27-10-8-24(32)34-3/h12-14,19H,4-11,15-16H2,1-3H3,(H,27,33).

What are the key properties of methyl 3-[[1-(cyclopropylmethyl)-5-[3-(3,5-dimethylphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate?

methyl 3-[[1-(cyclopropylmethyl)-5-[3-(3,5-dimethylphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate has a molecular weight of 466.58 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[[1-(cyclopropylmethyl)-5-[3-(3,5-dimethylphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 26145274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).