N-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide

C26H25N5O3S — CID 45186286

IUPACN-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cnn(-c2ccc(C(=O)N3CCC(C(O)c4cccs4)CC3)cc2)c1)c1cccnc1
InChIInChI=1S/C26H25N5O3S/c32-24(23-4-2-14-35-23)18-9-12-30(13-10-18)26(34)19-5-7-22(8-6-19)31-17-21(16-28-31)29-25(33)20-3-1-11-27-15-20/h1-8,11,14-18,24,32H,9-10,12-13H2,(H,29,33)
InChIKeyGZAWEPVEYRPSDF-UHFFFAOYSA-N
MW487.59 g/mol
LogP4.17
Rot. Bonds6

About N-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide

N-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 45186286) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID45186286
Molecular FormulaC26H25N5O3S
Molecular Weight487.59 g/mol
Exact Mass487.17
IUPAC NameN-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cnn(-c2ccc(C(=O)N3CCC(C(O)c4cccs4)CC3)cc2)c1)c1cccnc1
InChIInChI=1S/C26H25N5O3S/c32-24(23-4-2-14-35-23)18-9-12-30(13-10-18)26(34)19-5-7-22(8-6-19)31-17-21(16-28-31)29-25(33)20-3-1-11-27-15-20/h1-8,11,14-18,24,32H,9-10,12-13H2,(H,29,33)
InChIKeyGZAWEPVEYRPSDF-UHFFFAOYSA-N
XLogP4.17
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-isoquinolin-5-ylmethanone
CID 95559763
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39613287
N-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 45201861
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CID 45201102
N-(1-pyridin-4-ylpyrazol-4-yl)benzamide
CID 110471191
N-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
CID 59541709
N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
CID 26345004
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 119061216
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796919
N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 11164840

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide (CID 45186286) is N-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide is O=C(Nc1cnn(-c2ccc(C(=O)N3CCC(C(O)c4cccs4)CC3)cc2)c1)c1cccnc1.
What is the InChIKey of N-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is GZAWEPVEYRPSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3S/c32-24(23-4-2-14-35-23)18-9-12-30(13-10-18)26(34)19-5-7-22(8-6-19)31-17-21(16-28-31)29-25(33)20-3-1-11-27-15-20/h1-8,11,14-18,24,32H,9-10,12-13H2,(H,29,33).
What are the key properties of N-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide?
N-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 487.59 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 45186286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).