6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-7-ethyl-1-methyl-2,5-dihydropyrazolo[4,3-c]pyridine-3,4-dione

C21H27N5O2 — CID 118287893

IUPAC6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-7-ethyl-1-methyl-2,5-dihydropyrazolo[4,3-c]pyridine-3,4-dione
SMILESCCc1c(-c2ccc(N3CCC(N(C)C)C3)cc2)[nH]c(=O)c2c(=O)[nH]n(C)c12
InChIInChI=1S/C21H27N5O2/c1-5-16-18(22-20(27)17-19(16)25(4)23-21(17)28)13-6-8-14(9-7-13)26-11-10-15(12-26)24(2)3/h6-9,15H,5,10-12H2,1-4H3,(H,22,27)(H,23,28)
InChIKeyWHGHRRCZXNMISU-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.92
Rot. Bonds4

About 6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-7-ethyl-1-methyl-2,5-dihydropyrazolo[4,3-c]pyridine-3,4-dione

6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-7-ethyl-1-methyl-2,5-dihydropyrazolo[4,3-c]pyridine-3,4-dione (PubChem CID 118287893) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-7-ethyl-1-methyl-2,5-dihydropyrazolo[4,3-c]pyridine-3,4-dione.

Molecular Properties

Compound Name6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-7-ethyl-1-methyl-2,5-dihydropyrazolo[4,3-c]pyridine-3,4-dione
PubChem CID118287893
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-7-ethyl-1-methyl-2,5-dihydropyrazolo[4,3-c]pyridine-3,4-dione
SMILESCCc1c(-c2ccc(N3CCC(N(C)C)C3)cc2)[nH]c(=O)c2c(=O)[nH]n(C)c12
InChIInChI=1S/C21H27N5O2/c1-5-16-18(22-20(27)17-19(16)25(4)23-21(17)28)13-6-8-14(9-7-13)26-11-10-15(12-26)24(2)3/h6-9,15H,5,10-12H2,1-4H3,(H,22,27)(H,23,28)
InChIKeyWHGHRRCZXNMISU-UHFFFAOYSA-N
XLogP1.92
TPSA77.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 123664857
[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol
CID 63164119
6-[4-[(3aR,4R,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284663
(2,2,2-trifluoroacetyl) 6-[4-[3-(diethylamino)pyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylate
CID 89422987
5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281867
6-[4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 71285393
[9-[3-(dimethylamino)pyrrolidin-1-yl]-4-hydroxy-5-methyl-2-oxo-5,6-dihydro-1H-[1]benzoxepino[5,4-b]pyridin-3-yl] hydrogen carbonate
CID 126686064
2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride
CID 67164499
(3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine
CID 141145994
2-[[1-(4-ethylphenyl)pyrrolidin-3-yl]-methylamino]acetic acid
CID 117004246
6-[4-[(3R,4R)-3-[(dibenzylamino)methyl]-4-methylpyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281915
6-[4-[(4R,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 144545504

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-7-ethyl-1-methyl-2,5-dihydropyrazolo[4,3-c]pyridine-3,4-dione?
The IUPAC name of 6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-7-ethyl-1-methyl-2,5-dihydropyrazolo[4,3-c]pyridine-3,4-dione (CID 118287893) is 6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-7-ethyl-1-methyl-2,5-dihydropyrazolo[4,3-c]pyridine-3,4-dione.
What is the SMILES notation for 6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-7-ethyl-1-methyl-2,5-dihydropyrazolo[4,3-c]pyridine-3,4-dione?
The canonical SMILES for 6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-7-ethyl-1-methyl-2,5-dihydropyrazolo[4,3-c]pyridine-3,4-dione is CCc1c(-c2ccc(N3CCC(N(C)C)C3)cc2)[nH]c(=O)c2c(=O)[nH]n(C)c12.
What is the InChIKey of 6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-7-ethyl-1-methyl-2,5-dihydropyrazolo[4,3-c]pyridine-3,4-dione?
The InChIKey is WHGHRRCZXNMISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-5-16-18(22-20(27)17-19(16)25(4)23-21(17)28)13-6-8-14(9-7-13)26-11-10-15(12-26)24(2)3/h6-9,15H,5,10-12H2,1-4H3,(H,22,27)(H,23,28).
What are the key properties of 6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-7-ethyl-1-methyl-2,5-dihydropyrazolo[4,3-c]pyridine-3,4-dione?
6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-7-ethyl-1-methyl-2,5-dihydropyrazolo[4,3-c]pyridine-3,4-dione has a molecular weight of 381.48 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-7-ethyl-1-methyl-2,5-dihydropyrazolo[4,3-c]pyridine-3,4-dione is sourced from PubChem (CID 118287893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).