N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C20H25FN6O — CID 156600441

IUPACN-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCn1cc(C2CC3C(CC2F)NNC3C(=O)Nc2ccc3c(c2)CNC3)cn1
InChIInChI=1S/C20H25FN6O/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/h2-4,9-10,15-19,22,25-26H,5-8H2,1H3,(H,24,28)
InChIKeyUJUOJIOMVABDNK-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.34
Rot. Bonds3

About N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 156600441) has the molecular formula C20H25FN6O and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID156600441
Molecular FormulaC20H25FN6O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCn1cc(C2CC3C(CC2F)NNC3C(=O)Nc2ccc3c(c2)CNC3)cn1
InChIInChI=1S/C20H25FN6O/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/h2-4,9-10,15-19,22,25-26H,5-8H2,1H3,(H,24,28)
InChIKeyUJUOJIOMVABDNK-UHFFFAOYSA-N
XLogP1.34
TPSA83.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 156600441) is N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-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)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is Cn1cc(C2CC3C(CC2F)NNC3C(=O)Nc2ccc3c(c2)CNC3)cn1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is UJUOJIOMVABDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O/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/h2-4,9-10,15-19,22,25-26H,5-8H2,1H3,(H,24,28).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 1.34, 3 rotatable bonds, 4 hydrogen bond donors, and 6 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)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 156600441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).