1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C20H24N4O3 — CID 56704648

IUPAC1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CCN(C(=O)CN1CCC(c3ccccc3)C1)C2
InChIInChI=1S/C20H24N4O3/c1-22-17-8-10-24(12-16(17)19(21-22)20(26)27)18(25)13-23-9-7-15(11-23)14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,26,27)
InChIKeyORYBUZJXJJJZTQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.49
Rot. Bonds4

About 1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56704648) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56704648
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CCN(C(=O)CN1CCC(c3ccccc3)C1)C2
InChIInChI=1S/C20H24N4O3/c1-22-17-8-10-24(12-16(17)19(21-22)20(26)27)18(25)13-23-9-7-15(11-23)14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,26,27)
InChIKeyORYBUZJXJJJZTQ-UHFFFAOYSA-N
XLogP1.49
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 95200224
5-carbamoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 84689012
5-methoxycarbonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 83919332
[1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45163549
7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 95220070
N-[(4-chlorophenyl)methyl]-1-methyl-5-(2-phenylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066501
1-methyl-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56710526
2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
CID 95592150
N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162379
N-cyclopropyl-N-ethyl-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95338399
methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
CID 155940039

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56704648) is 1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is Cn1nc(C(=O)O)c2c1CCN(C(=O)CN1CCC(c3ccccc3)C1)C2.
What is the InChIKey of 1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is ORYBUZJXJJJZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-22-17-8-10-24(12-16(17)19(21-22)20(26)27)18(25)13-23-9-7-15(11-23)14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,26,27).
What are the key properties of 1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 368.44 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56704648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).