4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-[3-(dimethylamino)propyl]pyrrolidin-2-one

C20H33N5O2 — CID 108809960

IUPAC4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-[3-(dimethylamino)propyl]pyrrolidin-2-one
SMILESCN(C)CCCN1CC(C(=O)N2CCc3c(cnn3C(C)(C)C)C2)CC1=O
InChIInChI=1S/C20H33N5O2/c1-20(2,3)25-17-7-10-24(14-16(17)12-21-25)19(27)15-11-18(26)23(13-15)9-6-8-22(4)5/h12,15H,6-11,13-14H2,1-5H3
InChIKeyKUKFRNSBABRIOD-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.32
Rot. Bonds5

About 4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-[3-(dimethylamino)propyl]pyrrolidin-2-one

4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-[3-(dimethylamino)propyl]pyrrolidin-2-one (PubChem CID 108809960) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-[3-(dimethylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-[3-(dimethylamino)propyl]pyrrolidin-2-one
PubChem CID108809960
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-[3-(dimethylamino)propyl]pyrrolidin-2-one
SMILESCN(C)CCCN1CC(C(=O)N2CCc3c(cnn3C(C)(C)C)C2)CC1=O
InChIInChI=1S/C20H33N5O2/c1-20(2,3)25-17-7-10-24(14-16(17)12-21-25)19(27)15-11-18(26)23(13-15)9-6-8-22(4)5/h12,15H,6-11,13-14H2,1-5H3
InChIKeyKUKFRNSBABRIOD-UHFFFAOYSA-N
XLogP1.32
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 108800270
4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 108755676
4-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carbonyl]-1-[3-(dimethylamino)propyl]pyrrolidin-2-one
CID 108809927
(4S)-4-(5-chloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 95932457
1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-[butyl(methyl)amino]propan-1-one
CID 108732222
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120819697
1-[3-(dimethylamino)propyl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108800222
1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108809946
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-methylbutyl)pyrrolidin-2-one
CID 113185612
2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 108755633
(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9398589

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-[3-(dimethylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-[3-(dimethylamino)propyl]pyrrolidin-2-one (CID 108809960) is 4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-[3-(dimethylamino)propyl]pyrrolidin-2-one is CN(C)CCCN1CC(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-[3-(dimethylamino)propyl]pyrrolidin-2-one?
The InChIKey is KUKFRNSBABRIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-20(2,3)25-17-7-10-24(14-16(17)12-21-25)19(27)15-11-18(26)23(13-15)9-6-8-22(4)5/h12,15H,6-11,13-14H2,1-5H3.
What are the key properties of 4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-[3-(dimethylamino)propyl]pyrrolidin-2-one?
4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-[3-(dimethylamino)propyl]pyrrolidin-2-one has a molecular weight of 375.52 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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-[3-(dimethylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 108809960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).