5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide

C22H29FN6O — CID 139431377

IUPAC5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
SMILESCc1ncc(-c2ccc3[nH]nc(C(=O)N[C@H]4CCN(CC(C)C)C[C@@H]4F)c3c2)n1C
InChIInChI=1S/C22H29FN6O/c1-13(2)11-29-8-7-19(17(23)12-29)25-22(30)21-16-9-15(5-6-18(16)26-27-21)20-10-24-14(3)28(20)4/h5-6,9-10,13,17,19H,7-8,11-12H2,1-4H3,(H,25,30)(H,26,27)/t17-,19-/m0/s1
InChIKeyVTZUYAKVRFHVFE-HKUYNNGSSA-N
MW412.51 g/mol
LogP3.07
Rot. Bonds5

About 5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide

5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide (PubChem CID 139431377) has the molecular formula C22H29FN6O and a molecular weight of 412.51 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
PubChem CID139431377
Molecular FormulaC22H29FN6O
Molecular Weight412.51 g/mol
Exact Mass412.24
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
SMILESCc1ncc(-c2ccc3[nH]nc(C(=O)N[C@H]4CCN(CC(C)C)C[C@@H]4F)c3c2)n1C
InChIInChI=1S/C22H29FN6O/c1-13(2)11-29-8-7-19(17(23)12-29)25-22(30)21-16-9-15(5-6-18(16)26-27-21)20-10-24-14(3)28(20)4/h5-6,9-10,13,17,19H,7-8,11-12H2,1-4H3,(H,25,30)(H,26,27)/t17-,19-/m0/s1
InChIKeyVTZUYAKVRFHVFE-HKUYNNGSSA-N
XLogP3.07
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-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

Danicopan
CID 118323590
Lorecivivint
CID 135565709
Fn-1501
CID 72195175
Pf-05175157
CID 52934180
Pimitespib
CID 67501411
Bezuclastinib
CID 75593308
N-[(2r)-1-(3-Cyanoazetidin-1-Yl)-1-Oxidanylidene-Propan-2-Yl]-2-(6-Fluoranyl-1-Methyl-Indazol-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71285696
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
2-[6-(diethylamino)pyridin-3-yl]-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N-methyl-1H-1,3-benzodiazole-5-carboxamide
CID 138466007
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925936
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925937
4-Tert-Butyl-N-[6-(1h-Pyrazol-4-Yl)imidazo[1,2-A]pyridin-2-Yl]benzamide
CID 24945008

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide (CID 139431377) is 5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide is Cc1ncc(-c2ccc3[nH]nc(C(=O)N[C@H]4CCN(CC(C)C)C[C@@H]4F)c3c2)n1C.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is VTZUYAKVRFHVFE-HKUYNNGSSA-N. The full InChI is InChI=1S/C22H29FN6O/c1-13(2)11-29-8-7-19(17(23)12-29)25-22(30)21-16-9-15(5-6-18(16)26-27-21)20-10-24-14(3)28(20)4/h5-6,9-10,13,17,19H,7-8,11-12H2,1-4H3,(H,25,30)(H,26,27)/t17-,19-/m0/s1.
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).