3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide

C23H26FN5O2 — CID 47049399

IUPAC3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(N2CCCCC2CCO)nc1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C23H26FN5O2/c24-18-7-5-17(6-8-18)20-13-21(28-27-20)23(31)26-15-16-4-9-22(25-14-16)29-11-2-1-3-19(29)10-12-30/h4-9,13-14,19,30H,1-3,10-12,15H2,(H,26,31)(H,27,28)
InChIKeyQWJFNGSSRREDCM-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.28
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 47049399) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID47049399
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(N2CCCCC2CCO)nc1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C23H26FN5O2/c24-18-7-5-17(6-8-18)20-13-21(28-27-20)23(31)26-15-16-4-9-22(25-14-16)29-11-2-1-3-19(29)10-12-30/h4-9,13-14,19,30H,1-3,10-12,15H2,(H,26,31)(H,27,28)
InChIKeyQWJFNGSSRREDCM-UHFFFAOYSA-N
XLogP3.28
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide (CID 47049399) is 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide is O=C(NCc1ccc(N2CCCCC2CCO)nc1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is QWJFNGSSRREDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c24-18-7-5-17(6-8-18)20-13-21(28-27-20)23(31)26-15-16-4-9-22(25-14-16)29-11-2-1-3-19(29)10-12-30/h4-9,13-14,19,30H,1-3,10-12,15H2,(H,26,31)(H,27,28).
What are the key properties of 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47049399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).