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

C27H29ClN4O2 — CID 108750077

IUPAC4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2,6-diethylphenyl)pyrrolidin-2-one
SMILESCCc1cccc(CC)c1N1CC(C(=O)N2CCc3[nH]nc(-c4cccc(Cl)c4)c3C2)CC1=O
InChIInChI=1S/C27H29ClN4O2/c1-3-17-7-5-8-18(4-2)26(17)32-15-20(14-24(32)33)27(34)31-12-11-23-22(16-31)25(30-29-23)19-9-6-10-21(28)13-19/h5-10,13,20H,3-4,11-12,14-16H2,1-2H3,(H,29,30)
InChIKeyHFYBCOCBLWLTBO-UHFFFAOYSA-N
MW477.01 g/mol
LogP4.79
Rot. Bonds5

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

4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2,6-diethylphenyl)pyrrolidin-2-one (PubChem CID 108750077) has the molecular formula C27H29ClN4O2 and a molecular weight of 477.01 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2,6-diethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2,6-diethylphenyl)pyrrolidin-2-one
PubChem CID108750077
Molecular FormulaC27H29ClN4O2
Molecular Weight477.01 g/mol
Exact Mass476.20
IUPAC Name4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2,6-diethylphenyl)pyrrolidin-2-one
SMILESCCc1cccc(CC)c1N1CC(C(=O)N2CCc3[nH]nc(-c4cccc(Cl)c4)c3C2)CC1=O
InChIInChI=1S/C27H29ClN4O2/c1-3-17-7-5-8-18(4-2)26(17)32-15-20(14-24(32)33)27(34)31-12-11-23-22(16-31)25(30-29-23)19-9-6-10-21(28)13-19/h5-10,13,20H,3-4,11-12,14-16H2,1-2H3,(H,29,30)
InChIKeyHFYBCOCBLWLTBO-UHFFFAOYSA-N
XLogP4.79
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.01
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(2,6-diethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2,6-diethylphenyl)pyrrolidin-2-one (CID 108750077) is 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2,6-diethylphenyl)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-(2,6-diethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2,6-diethylphenyl)pyrrolidin-2-one is CCc1cccc(CC)c1N1CC(C(=O)N2CCc3[nH]nc(-c4cccc(Cl)c4)c3C2)CC1=O.
What is the InChIKey of 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2,6-diethylphenyl)pyrrolidin-2-one?
The InChIKey is HFYBCOCBLWLTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O2/c1-3-17-7-5-8-18(4-2)26(17)32-15-20(14-24(32)33)27(34)31-12-11-23-22(16-31)25(30-29-23)19-9-6-10-21(28)13-19/h5-10,13,20H,3-4,11-12,14-16H2,1-2H3,(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-(2,6-diethylphenyl)pyrrolidin-2-one?
4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2,6-diethylphenyl)pyrrolidin-2-one has a molecular weight of 477.01 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 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-(2,6-diethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 108750077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).