4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one

About 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one

4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one (PubChem CID 108725887) has the molecular formula C27H28ClN5O2 and a molecular weight of 490.01 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name	4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
PubChem CID	108725887
Molecular Formula	C27H28ClN5O2
Molecular Weight	490.01 g/mol
Exact Mass	489.19
IUPAC Name	4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
SMILES	O=C(C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1
InChI	InChI=1S/C27H28ClN5O2/c28-20-5-3-4-18(14-20)26-23-17-32(13-10-24(23)29-30-26)27(35)19-15-25(34)33(16-19)22-8-6-21(7-9-22)31-11-1-2-12-31/h3-9,14,19H,1-2,10-13,15-17H2,(H,29,30)
InChIKey	FPKKTAYVHCJRKL-UHFFFAOYSA-N
XLogP	4.27
TPSA	72.54 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.01
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one?

The IUPAC name of 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one (CID 108725887) is 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one.

What is the SMILES notation for 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one?

The canonical SMILES for 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1.

What is the InChIKey of 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one?

The InChIKey is FPKKTAYVHCJRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O2/c28-20-5-3-4-18(14-20)26-23-17-32(13-10-24(23)29-30-26)27(35)19-15-25(34)33(16-19)22-8-6-21(7-9-22)31-11-1-2-12-31/h3-9,14,19H,1-2,10-13,15-17H2,(H,29,30).

What are the key properties of 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one?

4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one has a molecular weight of 490.01 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 108725887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).