N-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide

C21H28FN5O2 — CID 140868402

IUPACN-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide
SMILESCc1cnn(-c2ccncc2C2(CCF)OCC[C@@H]2NC(=O)C2CCNCC2)c1
InChIInChI=1S/C21H28FN5O2/c1-15-12-25-27(14-15)18-4-10-24-13-17(18)21(6-7-22)19(5-11-29-21)26-20(28)16-2-8-23-9-3-16/h4,10,12-14,16,19,23H,2-3,5-9,11H2,1H3,(H,26,28)/t19-,21?/m0/s1
InChIKeyCMXCPZDLFZPMOR-ZQRQZVKFSA-N
MW401.49 g/mol
LogP2.04
Rot. Bonds6

About N-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide

N-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide (PubChem CID 140868402) has the molecular formula C21H28FN5O2 and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide
PubChem CID140868402
Molecular FormulaC21H28FN5O2
Molecular Weight401.49 g/mol
Exact Mass401.22
IUPAC NameN-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide
SMILESCc1cnn(-c2ccncc2C2(CCF)OCC[C@@H]2NC(=O)C2CCNCC2)c1
InChIInChI=1S/C21H28FN5O2/c1-15-12-25-27(14-15)18-4-10-24-13-17(18)21(6-7-22)19(5-11-29-21)26-20(28)16-2-8-23-9-3-16/h4,10,12-14,16,19,23H,2-3,5-9,11H2,1H3,(H,26,28)/t19-,21?/m0/s1
InChIKeyCMXCPZDLFZPMOR-ZQRQZVKFSA-N
XLogP2.04
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)pyridin-4-yl]pyrazole-4-carboxamide
CID 73442393
US9963443, Reference Example 13
CID 146047738
3-[({1-[3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}oxy)methyl]pyridine
CID 70711912
3-[({1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-3-piperidinyl}oxy)methyl]pyridine
CID 70768817
1,5-anhydro-2,4-dideoxy-2-{[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]amino}-3-O-(pyridin-2-ylmethyl)-D-threo-pentitol
CID 91783746
(2S,3S)-N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-2-pyridin-3-yloxolane-3-carboxamide
CID 136587140
3-(4-methylpyrazol-1-yl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 164635316
1-[(2R,3S)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]urea
CID 164636809
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)pyridin-4-yl]pyrazole-4-carboxamide;hydrochloride
CID 90047442
N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide;hydrochloride
CID 90047443
N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 90047444
2-Hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide
CID 90319810

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide (CID 140868402) is N-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide is Cc1cnn(-c2ccncc2C2(CCF)OCC[C@@H]2NC(=O)C2CCNCC2)c1.
What is the InChIKey of N-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide?
The InChIKey is CMXCPZDLFZPMOR-ZQRQZVKFSA-N. The full InChI is InChI=1S/C21H28FN5O2/c1-15-12-25-27(14-15)18-4-10-24-13-17(18)21(6-7-22)19(5-11-29-21)26-20(28)16-2-8-23-9-3-16/h4,10,12-14,16,19,23H,2-3,5-9,11H2,1H3,(H,26,28)/t19-,21?/m0/s1.
What are the key properties of N-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide?
N-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-(2-fluoroethyl)-2-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 140868402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).