6-(3-fluorophenyl)-N-[1-[[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide

C29H30FN5O2 — CID 67266987

IUPAC6-(3-fluorophenyl)-N-[1-[[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2c(CN3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)cnn2C)c1
InChIInChI=1S/C29H30FN5O2/c1-34-28(21-6-4-8-26(16-21)37-2)23(18-32-34)19-35-13-11-25(12-14-35)33-29(36)22-9-10-27(31-17-22)20-5-3-7-24(30)15-20/h3-10,15-18,25H,11-14,19H2,1-2H3,(H,33,36)
InChIKeyIWTHZWRQZPMLDB-UHFFFAOYSA-N
MW499.59 g/mol
LogP4.69
Rot. Bonds7

About 6-(3-fluorophenyl)-N-[1-[[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-[[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67266987) has the molecular formula C29H30FN5O2 and a molecular weight of 499.59 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67266987
Molecular FormulaC29H30FN5O2
Molecular Weight499.59 g/mol
Exact Mass499.24
IUPAC Name6-(3-fluorophenyl)-N-[1-[[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2c(CN3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)cnn2C)c1
InChIInChI=1S/C29H30FN5O2/c1-34-28(21-6-4-8-26(16-21)37-2)23(18-32-34)19-35-13-11-25(12-14-35)33-29(36)22-9-10-27(31-17-22)20-5-3-7-24(30)15-20/h3-10,15-18,25H,11-14,19H2,1-2H3,(H,33,36)
InChIKeyIWTHZWRQZPMLDB-UHFFFAOYSA-N
XLogP4.69
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-[[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 67266987) is 6-(3-fluorophenyl)-N-[1-[[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide is COc1cccc(-c2c(CN3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)cnn2C)c1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is IWTHZWRQZPMLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O2/c1-34-28(21-6-4-8-26(16-21)37-2)23(18-32-34)19-35-13-11-25(12-14-35)33-29(36)22-9-10-27(31-17-22)20-5-3-7-24(30)15-20/h3-10,15-18,25H,11-14,19H2,1-2H3,(H,33,36).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 499.59 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-[[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67266987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).