6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

C18H19F2N5O — CID 139431403

IUPAC6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2cc3c(C(=O)N[C@@H]4CCCC[C@H]4F)n[nH]c3cc2F)cn1
InChIInChI=1S/C18H19F2N5O/c1-25-9-10(8-21-25)11-6-12-16(7-14(11)20)23-24-17(12)18(26)22-15-5-3-2-4-13(15)19/h6-9,13,15H,2-5H2,1H3,(H,22,26)(H,23,24)/t13-,15-/m1/s1
InChIKeyLBCSQXSZWFYBTK-UKRRQHHQSA-N
MW359.38 g/mol
LogP3.11
Rot. Bonds3

About 6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431403) has the molecular formula C18H19F2N5O and a molecular weight of 359.38 g/mol. Its IUPAC name is 6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431403
Molecular FormulaC18H19F2N5O
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC Name6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2cc3c(C(=O)N[C@@H]4CCCC[C@H]4F)n[nH]c3cc2F)cn1
InChIInChI=1S/C18H19F2N5O/c1-25-9-10(8-21-25)11-6-12-16(7-14(11)20)23-24-17(12)18(26)22-15-5-3-2-4-13(15)19/h6-9,13,15H,2-5H2,1H3,(H,22,26)(H,23,24)/t13-,15-/m1/s1
InChIKeyLBCSQXSZWFYBTK-UKRRQHHQSA-N
XLogP3.11
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide with MolForge

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Related Compounds

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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
5F-Cumyl-PINACA
CID 86274158
Adb-fubinaca
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(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
App-butinaca
CID 154735174
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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431403) is 6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is Cn1cc(-c2cc3c(C(=O)N[C@@H]4CCCC[C@H]4F)n[nH]c3cc2F)cn1.
What is the InChIKey of 6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is LBCSQXSZWFYBTK-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H19F2N5O/c1-25-9-10(8-21-25)11-6-12-16(7-14(11)20)23-24-17(12)18(26)22-15-5-3-2-4-13(15)19/h6-9,13,15H,2-5H2,1H3,(H,22,26)(H,23,24)/t13-,15-/m1/s1.
What are the key properties of 6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).