2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid

C25H28FN5O3 — CID 67267508

IUPAC2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1cc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cn1
InChIInChI=1S/C25H28FN5O3/c1-2-23(25(33)34)31-16-17(13-28-31)15-30-10-8-21(9-11-30)29-24(32)19-6-7-22(27-14-19)18-4-3-5-20(26)12-18/h3-7,12-14,16,21,23H,2,8-11,15H2,1H3,(H,29,32)(H,33,34)
InChIKeyQVSUULGJEKYOJN-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.51
Rot. Bonds8

About 2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid

2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid (PubChem CID 67267508) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid
PubChem CID67267508
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1cc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cn1
InChIInChI=1S/C25H28FN5O3/c1-2-23(25(33)34)31-16-17(13-28-31)15-30-10-8-21(9-11-30)29-24(32)19-6-7-22(27-14-19)18-4-3-5-20(26)12-18/h3-7,12-14,16,21,23H,2,8-11,15H2,1H3,(H,29,32)(H,33,34)
InChIKeyQVSUULGJEKYOJN-UHFFFAOYSA-N
XLogP3.51
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid with MolForge

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Related Compounds

2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]acetic acid
CID 69295626
6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268686
6-(3-fluorophenyl)-N-[1-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267219
6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268736
6-(3-fluorophenyl)-N-[1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268324
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267093
N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268195
6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 67268004
4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butylcarbamic acid
CID 67267712
6-(3-fluorophenyl)-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267267
6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide
CID 91187422
N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268177

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid?
The IUPAC name of 2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid (CID 67267508) is 2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid?
The canonical SMILES for 2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid is CCC(C(=O)O)n1cc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cn1.
What is the InChIKey of 2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid?
The InChIKey is QVSUULGJEKYOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-2-23(25(33)34)31-16-17(13-28-31)15-30-10-8-21(9-11-30)29-24(32)19-6-7-22(27-14-19)18-4-3-5-20(26)12-18/h3-7,12-14,16,21,23H,2,8-11,15H2,1H3,(H,29,32)(H,33,34).
What are the key properties of 2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid?
2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid has a molecular weight of 465.53 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 67267508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).