(4S)-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C20H23FN4O3 — CID 29153945

IUPAC(4S)-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](C(=O)N2CCc3[nH]nc(-c4ccc(F)cc4)c3C2)CC1=O
InChIInChI=1S/C20H23FN4O3/c1-28-9-8-24-11-14(10-18(24)26)20(27)25-7-6-17-16(12-25)19(23-22-17)13-2-4-15(21)5-3-13/h2-5,14H,6-12H2,1H3,(H,22,23)/t14-/m0/s1
InChIKeyWUVOCIAZXKOISR-AWEZNQCLSA-N
MW386.43 g/mol
LogP1.60
Rot. Bonds5

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

(4S)-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 29153945) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is (4S)-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID29153945
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name(4S)-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](C(=O)N2CCc3[nH]nc(-c4ccc(F)cc4)c3C2)CC1=O
InChIInChI=1S/C20H23FN4O3/c1-28-9-8-24-11-14(10-18(24)26)20(27)25-7-6-17-16(12-25)19(23-22-17)13-2-4-15(21)5-3-13/h2-5,14H,6-12H2,1H3,(H,22,23)/t14-/m0/s1
InChIKeyWUVOCIAZXKOISR-AWEZNQCLSA-N
XLogP1.60
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 94664366
4-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 108743497
4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 108726038
(4R)-1-(2-methoxyethyl)-4-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one
CID 99933985
4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one
CID 108750214
4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione
CID 66085744
4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108750075
4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 110346325
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone
CID 25285988
4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2,6-diethylphenyl)pyrrolidin-2-one
CID 108750077
(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 94046017
[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone
CID 46989048

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 29153945) is (4S)-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@@H](C(=O)N2CCc3[nH]nc(-c4ccc(F)cc4)c3C2)CC1=O.
What is the InChIKey of (4S)-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is WUVOCIAZXKOISR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-28-9-8-24-11-14(10-18(24)26)20(27)25-7-6-17-16(12-25)19(23-22-17)13-2-4-15(21)5-3-13/h2-5,14H,6-12H2,1H3,(H,22,23)/t14-/m0/s1.
What are the key properties of (4S)-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4S)-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 386.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 29153945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).