4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one

C23H30N4O2 — CID 108755676

IUPAC4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(C(=O)N2CCc3c(cnn3C(C)(C)C)C2)CC1=O
InChIInChI=1S/C23H30N4O2/c1-16(17-8-6-5-7-9-17)26-15-18(12-21(26)28)22(29)25-11-10-20-19(14-25)13-24-27(20)23(2,3)4/h5-9,13,16,18H,10-12,14-15H2,1-4H3
InChIKeyYEKSUSGQUUZRPI-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.13
Rot. Bonds3

About 4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one

4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 108755676) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID108755676
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(C(=O)N2CCc3c(cnn3C(C)(C)C)C2)CC1=O
InChIInChI=1S/C23H30N4O2/c1-16(17-8-6-5-7-9-17)26-15-18(12-21(26)28)22(29)25-11-10-20-19(14-25)13-24-27(20)23(2,3)4/h5-9,13,16,18H,10-12,14-15H2,1-4H3
InChIKeyYEKSUSGQUUZRPI-UHFFFAOYSA-N
XLogP3.13
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-[3-(dimethylamino)propyl]pyrrolidin-2-one
CID 108809960
(4R)-1-[(1R)-1-phenylethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7031821
(3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9266562
(3S)-1-[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9266561
4-[4-(methylamino)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one;hydrochloride
CID 119559645
1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 108781376
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one;hydrochloride
CID 119592627
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 119634812
1-(1-phenylethyl)-4-[4-(2-sulfanylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535383
2,2-dichloro-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 108564813
(4R)-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 9113482
1-(1-phenylethyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 86953693

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one (CID 108755676) is 4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one is CC(c1ccccc1)N1CC(C(=O)N2CCc3c(cnn3C(C)(C)C)C2)CC1=O.
What is the InChIKey of 4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is YEKSUSGQUUZRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16(17-8-6-5-7-9-17)26-15-18(12-21(26)28)22(29)25-11-10-20-19(14-25)13-24-27(20)23(2,3)4/h5-9,13,16,18H,10-12,14-15H2,1-4H3.
What are the key properties of 4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one?
4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 394.52 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 108755676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).