N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

C20H17FN6O — CID 139431398

IUPACN-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2cc3c(C(=O)Nc4ccc5c(c4)CNC5)n[nH]c3cc2F)cn1
InChIInChI=1S/C20H17FN6O/c1-27-10-13(9-23-27)15-5-16-18(6-17(15)21)25-26-19(16)20(28)24-14-3-2-11-7-22-8-12(11)4-14/h2-6,9-10,22H,7-8H2,1H3,(H,24,28)(H,25,26)
InChIKeyUUUPLRVZLJSMPG-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.96
Rot. Bonds3

About N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431398) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431398
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2cc3c(C(=O)Nc4ccc5c(c4)CNC5)n[nH]c3cc2F)cn1
InChIInChI=1S/C20H17FN6O/c1-27-10-13(9-23-27)15-5-16-18(6-17(15)21)25-26-19(16)20(28)24-14-3-2-11-7-22-8-12(11)4-14/h2-6,9-10,22H,7-8H2,1H3,(H,24,28)(H,25,26)
InChIKeyUUUPLRVZLJSMPG-UHFFFAOYSA-N
XLogP2.96
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259598
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259641
N-[1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267318

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431398) is N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is Cn1cc(-c2cc3c(C(=O)Nc4ccc5c(c4)CNC5)n[nH]c3cc2F)cn1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is UUUPLRVZLJSMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-27-10-13(9-23-27)15-5-16-18(6-17(15)21)25-26-19(16)20(28)24-14-3-2-11-7-22-8-12(11)4-14/h2-6,9-10,22H,7-8H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).