1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide

C23H28FN5O4 — CID 169006169

IUPAC1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)NC45CCC(O)(CC4)C5)CC3)[nH]n2)c(F)cn1
InChIInChI=1S/C23H28FN5O4/c1-33-19-10-15(16(24)12-25-19)17-11-18(28-27-17)21(31)29-8-2-14(3-9-29)20(30)26-22-4-6-23(32,13-22)7-5-22/h10-12,14,32H,2-9,13H2,1H3,(H,26,30)(H,27,28)
InChIKeyYQQBPNADUABQAS-UHFFFAOYSA-N
MW457.51 g/mol
LogP2.04
Rot. Bonds5

About 1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide

1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide (PubChem CID 169006169) has the molecular formula C23H28FN5O4 and a molecular weight of 457.51 g/mol. Its IUPAC name is 1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
PubChem CID169006169
Molecular FormulaC23H28FN5O4
Molecular Weight457.51 g/mol
Exact Mass457.21
IUPAC Name1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)NC45CCC(O)(CC4)C5)CC3)[nH]n2)c(F)cn1
InChIInChI=1S/C23H28FN5O4/c1-33-19-10-15(16(24)12-25-19)17-11-18(28-27-17)21(31)29-8-2-14(3-9-29)20(30)26-22-4-6-23(32,13-22)7-5-22/h10-12,14,32H,2-9,13H2,1H3,(H,26,30)(H,27,28)
InChIKeyYQQBPNADUABQAS-UHFFFAOYSA-N
XLogP2.04
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide with MolForge

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Related Compounds

4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide
CID 167064924
(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(1R)-1-(4-hydroxy-1-bicyclo[2.2.2]octanyl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 163296019
4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid
CID 163295658
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,3-difluorophenyl)piperidine-4-carboxamide
CID 163295884
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(4,4-difluoro-5-oxopyrrolidin-2-yl)methyl]piperidine-4-carboxamide
CID 163295601
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide
CID 169094997
(2S,4S)-1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-(trifluoromethyl)piperidine-4-carboxamide
CID 167375048
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxamide
CID 163295674
(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(1-methyl-2H-pyrazin-2-yl)methyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 169095026
(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carbaldehyde
CID 167064554
4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,2,2-trimethylpiperidin-3-yl)-4-azaspiro[2.5]octane-7-carboxamide
CID 175578009
(7S)-N-[(1S,3S,4R)-3,4-dihydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 163295687

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide (CID 169006169) is 1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide is COc1cc(-c2cc(C(=O)N3CCC(C(=O)NC45CCC(O)(CC4)C5)CC3)[nH]n2)c(F)cn1.
What is the InChIKey of 1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide?
The InChIKey is YQQBPNADUABQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O4/c1-33-19-10-15(16(24)12-25-19)17-11-18(28-27-17)21(31)29-8-2-14(3-9-29)20(30)26-22-4-6-23(32,13-22)7-5-22/h10-12,14,32H,2-9,13H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide?
1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide is sourced from PubChem (CID 169006169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).