N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C28H43N5O3 — CID 45160581

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 45160581) has the molecular formula C28H43N5O3 and a molecular weight of 497.68 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 45160581
• Molecular Formula: C28H43N5O3
• Molecular Weight: 497.68 g/mol
• Exact Mass: 497.34
• IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CCN1CCCC1CNC(=O)c1nn(CCOC)c2c1CN(C(C)CCc1ccc(OC)cc1)CC2
• InChI: InChI=1S/C28H43N5O3/c1-5-31-15-6-7-23(31)19-29-28(34)27-25-20-32(16-14-26(25)33(30-27)17-18-35-3)21(2)8-9-22-10-12-24(36-4)13-11-22/h10-13,21,23H,5-9,14-20H2,1-4H3,(H,29,34)
• InChIKey: TWIOSUZMKRTELR-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 71.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.68
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 45160581) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCN1CCCC1CNC(=O)c1nn(CCOC)c2c1CN(C(C)CCc1ccc(OC)cc1)CC2.

What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is TWIOSUZMKRTELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N5O3/c1-5-31-15-6-7-23(31)19-29-28(34)27-25-20-32(16-14-26(25)33(30-27)17-18-35-3)21(2)8-9-22-10-12-24(36-4)13-11-22/h10-13,21,23H,5-9,14-20H2,1-4H3,(H,29,34).

What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 497.68 g/mol, XLogP of 3.13, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 45160581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).