N-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

C22H27FN6O — CID 139431458

IUPACN-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)NC4CCC(CN5CC(F)C5)CC4)c3c2)cn1
InChIInChI=1S/C22H27FN6O/c1-28-11-16(9-24-28)15-4-7-20-19(8-15)21(27-26-20)22(30)25-18-5-2-14(3-6-18)10-29-12-17(23)13-29/h4,7-9,11,14,17-18H,2-3,5-6,10,12-13H2,1H3,(H,25,30)(H,26,27)
InChIKeyHEVMDWOFGCAIBK-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.91
Rot. Bonds5

About N-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

N-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431458) has the molecular formula C22H27FN6O and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431458
Molecular FormulaC22H27FN6O
Molecular Weight410.50 g/mol
Exact Mass410.22
IUPAC NameN-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)NC4CCC(CN5CC(F)C5)CC4)c3c2)cn1
InChIInChI=1S/C22H27FN6O/c1-28-11-16(9-24-28)15-4-7-20-19(8-15)21(27-26-20)22(30)25-18-5-2-14(3-6-18)10-29-12-17(23)13-29/h4,7-9,11,14,17-18H,2-3,5-6,10,12-13H2,1H3,(H,25,30)(H,26,27)
InChIKeyHEVMDWOFGCAIBK-UHFFFAOYSA-N
XLogP2.91
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
PF-477736
CID 135565545
N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
(2R)-2-amino-2-cyclohexyl-N-[2-(1-methylpyrazol-4-yl)-9-oxo-3,10,11-triazatricyclo[6.4.1.0^{4,13]trideca-1(12),2,4,6,8(13)-pentaen-6-yl]acetamide
CID 135984730
N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71267243
Gne-9822
CID 74983355
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-2h-Indazole-3-Carboxamide
CID 3722581
1,4-Dihydro-1'-(1H-indazol-5-ylcarbonyl)-1-(1-methylethyl)spiro(5H-indazole-5,4'-piperidin)-7(6H)-one
CID 52934178
2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
CID 130301863
IL-17 modulator 4
CID 153616520

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431458) is N-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is Cn1cc(-c2ccc3[nH]nc(C(=O)NC4CCC(CN5CC(F)C5)CC4)c3c2)cn1.
What is the InChIKey of N-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is HEVMDWOFGCAIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O/c1-28-11-16(9-24-28)15-4-7-20-19(8-15)21(27-26-20)22(30)25-18-5-2-14(3-6-18)10-29-12-17(23)13-29/h4,7-9,11,14,17-18H,2-3,5-6,10,12-13H2,1H3,(H,25,30)(H,26,27).
What are the key properties of N-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
N-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluoroazetidin-1-yl)methyl]cyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).