1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide

C15H15FN6O2 — CID 89470512

IUPAC1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide
SMILESN#C[C@H]1CCOC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)nc2)n1
InChIInChI=1S/C15H15FN6O2/c16-13-2-1-10(6-19-13)20-15-11(14(18)23)7-22(21-15)12-8-24-4-3-9(12)5-17/h1-2,6-7,9,12H,3-4,8H2,(H2,18,23)(H,20,21)/t9-,12+/m1/s1
InChIKeyFUROLCLGKRFXGZ-SKDRFNHKSA-N
MW330.32 g/mol
LogP1.36
Rot. Bonds4

About 1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide

1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide (PubChem CID 89470512) has the molecular formula C15H15FN6O2 and a molecular weight of 330.32 g/mol. Its IUPAC name is 1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide
PubChem CID89470512
Molecular FormulaC15H15FN6O2
Molecular Weight330.32 g/mol
Exact Mass330.12
IUPAC Name1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide
SMILESN#C[C@H]1CCOC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)nc2)n1
InChIInChI=1S/C15H15FN6O2/c16-13-2-1-10(6-19-13)20-15-11(14(18)23)7-22(21-15)12-8-24-4-3-9(12)5-17/h1-2,6-7,9,12H,3-4,8H2,(H2,18,23)(H,20,21)/t9-,12+/m1/s1
InChIKeyFUROLCLGKRFXGZ-SKDRFNHKSA-N
XLogP1.36
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Atinvicitinib
CID 135138184
3-(4-cyanoanilino)-1-[(3R,4S)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 89470642
1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 89470690
3-anilino-1-[(3R,4S)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 89471136
1-[(3R,4S)-4-cyanooxan-3-yl]-3-(4-cyclopropylanilino)pyrazole-4-carboxamide
CID 137651481
1-[(3R,4S)-4-cyanooxan-3-yl]-3-[[2-(dimethylamino)-6-fluoro-4-pyridinyl]amino]pyrazole-4-carboxamide
CID 137654900
1-[(3R,4S)-4-cyanooxan-3-yl]-3-[4-(triazol-1-yl)anilino]pyrazole-4-carboxamide
CID 137656215
1-[(3R,4S)-4-cyanooxan-3-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 137658028
1-[4-(Cyanomethyl)-1-pyridin-3-ylpiperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71534526
1-[4-(Cyanomethyl)-1-(6-fluoro-5-methyl-3-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71534527
tert-Butyl 4-{4-carbamoyl-3-[(2-fluoropyridin-4-yl)amino]-1H-pyrazol-1-yl}-4-(cyanomethyl)piperidine-1-carboxylate
CID 71536249
1-[4-(Cyanomethyl)-1-(5-fluoro-3-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71537366

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide?
The IUPAC name of 1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide (CID 89470512) is 1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide is N#C[C@H]1CCOC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)nc2)n1.
What is the InChIKey of 1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide?
The InChIKey is FUROLCLGKRFXGZ-SKDRFNHKSA-N. The full InChI is InChI=1S/C15H15FN6O2/c16-13-2-1-10(6-19-13)20-15-11(14(18)23)7-22(21-15)12-8-24-4-3-9(12)5-17/h1-2,6-7,9,12H,3-4,8H2,(H2,18,23)(H,20,21)/t9-,12+/m1/s1.
What are the key properties of 1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide?
1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide has a molecular weight of 330.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide is sourced from PubChem (CID 89470512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).