N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide

C15H17FN4O2 — CID 129003452

IUPACN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide
SMILESCc1c([C@H]2OCC[C@@H]2NC(=O)c2ccncc2F)cnn1C
InChIInChI=1S/C15H17FN4O2/c1-9-11(7-18-20(9)2)14-13(4-6-22-14)19-15(21)10-3-5-17-8-12(10)16/h3,5,7-8,13-14H,4,6H2,1-2H3,(H,19,21)/t13-,14+/m0/s1
InChIKeyFRWANMUJKSQMHO-UONOGXRCSA-N
MW304.32 g/mol
LogP1.52
Rot. Bonds3

About N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide

N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 129003452) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide
PubChem CID129003452
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide
SMILESCc1c([C@H]2OCC[C@@H]2NC(=O)c2ccncc2F)cnn1C
InChIInChI=1S/C15H17FN4O2/c1-9-11(7-18-20(9)2)14-13(4-6-22-14)19-15(21)10-3-5-17-8-12(10)16/h3,5,7-8,13-14H,4,6H2,1-2H3,(H,19,21)/t13-,14+/m0/s1
InChIKeyFRWANMUJKSQMHO-UONOGXRCSA-N
XLogP1.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 127954487
3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide
CID 126857124
3-fluoro-N-(2-methylcyclopropyl)pyridine-4-carboxamide
CID 115646459
1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 128968592
(2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide
CID 129327175
2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 127955518
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
CID 128969421
3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950714
1-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 127962121
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950701
3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide
CID 97256978
N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 115645871

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide (CID 129003452) is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide is Cc1c([C@H]2OCC[C@@H]2NC(=O)c2ccncc2F)cnn1C.
What is the InChIKey of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is FRWANMUJKSQMHO-UONOGXRCSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-9-11(7-18-20(9)2)14-13(4-6-22-14)19-15(21)10-3-5-17-8-12(10)16/h3,5,7-8,13-14H,4,6H2,1-2H3,(H,19,21)/t13-,14+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide?
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 129003452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).