ethyl 1-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidine-4-carboxylate

C23H23FN4O3 — CID 53006271

IUPACethyl 1-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C23H23FN4O3/c1-2-31-23(30)17-9-13-27(14-10-17)22(29)20-15-21(16-7-11-25-12-8-16)28(26-20)19-5-3-18(24)4-6-19/h3-8,11-12,15,17H,2,9-10,13-14H2,1H3
InChIKeyRDSPLMRODQONSN-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.49
Rot. Bonds5

About ethyl 1-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidine-4-carboxylate

ethyl 1-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidine-4-carboxylate (PubChem CID 53006271) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is ethyl 1-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidine-4-carboxylate
PubChem CID53006271
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Nameethyl 1-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C23H23FN4O3/c1-2-31-23(30)17-9-13-27(14-10-17)22(29)20-15-21(16-7-11-25-12-8-16)28(26-20)19-5-3-18(24)4-6-19/h3-8,11-12,15,17H,2,9-10,13-14H2,1H3
InChIKeyRDSPLMRODQONSN-UHFFFAOYSA-N
XLogP3.49
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 57400053
Ethyl 4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine-1-carboxylate
CID 5307978
N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5309237
1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811854
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(pyrazolo[1,5-a]pyridin-2-yl)methanone
CID 42606577
Propan-2-yl 4-[5-(4-carbamoyl-2-fluorophenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
CID 68022271
7-Ethyl-3-(2-methylpyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 117821004
(7S)-7-methyl-3-(2-methylpyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 117824335
[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 140268006
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone
CID 140268009
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 140268020
[(3R)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1H-pyrazol-3-yl]methanone
CID 145994830

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidine-4-carboxylate (CID 53006271) is ethyl 1-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of ethyl 1-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is RDSPLMRODQONSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-2-31-23(30)17-9-13-27(14-10-17)22(29)20-15-21(16-7-11-25-12-8-16)28(26-20)19-5-3-18(24)4-6-19/h3-8,11-12,15,17H,2,9-10,13-14H2,1H3.
What are the key properties of ethyl 1-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidine-4-carboxylate?
ethyl 1-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 422.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 53006271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).