N-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide

C29H29F3N8O2 — CID 174163252

IUPACN-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide
SMILESC=CCN1CCC[C@H](c2nc(-c3ccc(NC(=O)c4cccc(-c5ccnn5CC5(C(F)(F)F)CC5)n4)nc3)no2)C1
InChIInChI=1S/C29H29F3N8O2/c1-2-14-39-15-4-5-20(17-39)27-37-25(38-42-27)19-8-9-24(33-16-19)36-26(41)22-7-3-6-21(35-22)23-10-13-34-40(23)18-28(11-12-28)29(30,31)32/h2-3,6-10,13,16,20H,1,4-5,11-12,14-15,17-18H2,(H,33,36,41)/t20-/m0/s1
InChIKeyLPCIOSUUKLIXPM-FQEVSTJZSA-N
MW578.60 g/mol
LogP5.35
Rot. Bonds9

About N-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide

N-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 174163252) has the molecular formula C29H29F3N8O2 and a molecular weight of 578.60 g/mol. Its IUPAC name is N-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide
PubChem CID174163252
Molecular FormulaC29H29F3N8O2
Molecular Weight578.60 g/mol
Exact Mass578.24
IUPAC NameN-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide
SMILESC=CCN1CCC[C@H](c2nc(-c3ccc(NC(=O)c4cccc(-c5ccnn5CC5(C(F)(F)F)CC5)n4)nc3)no2)C1
InChIInChI=1S/C29H29F3N8O2/c1-2-14-39-15-4-5-20(17-39)27-37-25(38-42-27)19-8-9-24(33-16-19)36-26(41)22-7-3-6-21(35-22)23-10-13-34-40(23)18-28(11-12-28)29(30,31)32/h2-3,6-10,13,16,20H,1,4-5,11-12,14-15,17-18H2,(H,33,36,41)/t20-/m0/s1
InChIKeyLPCIOSUUKLIXPM-FQEVSTJZSA-N
XLogP5.35
TPSA114.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.60
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[5-[5-[(3S)-1-prop-2-enoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 170720022
N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 170720068
2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride
CID 119921304
N-[5-[5-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2-methoxyacetamide
CID 162799175
N-carbamoyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 51105643
4-methoxy-N-[5-[5-[(2S)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide
CID 51136892
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 3226157
2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95130318
4-methoxy-N-[5-[5-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide
CID 75614901
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 42760899
N-[5-[5-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2-methoxyacetamide
CID 75131313
N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526384

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide (CID 174163252) is N-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide is C=CCN1CCC[C@H](c2nc(-c3ccc(NC(=O)c4cccc(-c5ccnn5CC5(C(F)(F)F)CC5)n4)nc3)no2)C1.
What is the InChIKey of N-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is LPCIOSUUKLIXPM-FQEVSTJZSA-N. The full InChI is InChI=1S/C29H29F3N8O2/c1-2-14-39-15-4-5-20(17-39)27-37-25(38-42-27)19-8-9-24(33-16-19)36-26(41)22-7-3-6-21(35-22)23-10-13-34-40(23)18-28(11-12-28)29(30,31)32/h2-3,6-10,13,16,20H,1,4-5,11-12,14-15,17-18H2,(H,33,36,41)/t20-/m0/s1.
What are the key properties of N-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide?
N-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 578.60 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(3S)-1-prop-2-enylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-[2-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 174163252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).