5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indazole

C17H18N6 — CID 46890771

IUPAC5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indazole
SMILESCN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3[nH]ncc3c2)cn1
InChIInChI=1S/C17H18N6/c1-22-9-14-5-13(22)10-23(14)17-8-18-16(7-19-17)11-2-3-15-12(4-11)6-20-21-15/h2-4,6-8,13-14H,5,9-10H2,1H3,(H,20,21)/t13-,14-/m0/s1
InChIKeyXLYDLYFDZLEXIN-KBPBESRZSA-N
MW306.37 g/mol
LogP1.91
Rot. Bonds2

About 5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indazole

5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indazole (PubChem CID 46890771) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indazole.

Molecular Properties

Compound Name5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indazole
PubChem CID46890771
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indazole
SMILESCN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3[nH]ncc3c2)cn1
InChIInChI=1S/C17H18N6/c1-22-9-14-5-13(22)10-23(14)17-8-18-16(7-19-17)11-2-3-15-12(4-11)6-20-21-15/h2-4,6-8,13-14H,5,9-10H2,1H3,(H,20,21)/t13-,14-/m0/s1
InChIKeyXLYDLYFDZLEXIN-KBPBESRZSA-N
XLogP1.91
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indazole?
The IUPAC name of 5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indazole (CID 46890771) is 5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indazole.
What is the SMILES notation for 5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indazole?
The canonical SMILES for 5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indazole is CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3[nH]ncc3c2)cn1.
What is the InChIKey of 5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indazole?
The InChIKey is XLYDLYFDZLEXIN-KBPBESRZSA-N. The full InChI is InChI=1S/C17H18N6/c1-22-9-14-5-13(22)10-23(14)17-8-18-16(7-19-17)11-2-3-15-12(4-11)6-20-21-15/h2-4,6-8,13-14H,5,9-10H2,1H3,(H,20,21)/t13-,14-/m0/s1.
What are the key properties of 5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indazole?
5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indazole has a molecular weight of 306.37 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indazole is sourced from PubChem (CID 46890771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).