5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indazole

C18H19N5 — CID 46890954

IUPAC5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indazole
SMILESCN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]ncc3c2)cn1
InChIInChI=1S/C18H19N5/c1-22-10-16-7-15(22)11-23(16)18-5-3-13(8-19-18)12-2-4-17-14(6-12)9-20-21-17/h2-6,8-9,15-16H,7,10-11H2,1H3,(H,20,21)/t15-,16-/m0/s1
InChIKeyITIAUUGMGIVTSE-HOTGVXAUSA-N
MW305.39 g/mol
LogP2.52
Rot. Bonds2

About 5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indazole

5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indazole (PubChem CID 46890954) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indazole
PubChem CID46890954
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indazole
SMILESCN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]ncc3c2)cn1
InChIInChI=1S/C18H19N5/c1-22-10-16-7-15(22)11-23(16)18-5-3-13(8-19-18)12-2-4-17-14(6-12)9-20-21-17/h2-6,8-9,15-16H,7,10-11H2,1H3,(H,20,21)/t15-,16-/m0/s1
InChIKeyITIAUUGMGIVTSE-HOTGVXAUSA-N
XLogP2.52
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indazole?
The IUPAC name of 5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indazole (CID 46890954) is 5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indazole.
What is the SMILES notation for 5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indazole?
The canonical SMILES for 5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indazole is CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]ncc3c2)cn1.
What is the InChIKey of 5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indazole?
The InChIKey is ITIAUUGMGIVTSE-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H19N5/c1-22-10-16-7-15(22)11-23(16)18-5-3-13(8-19-18)12-2-4-17-14(6-12)9-20-21-17/h2-6,8-9,15-16H,7,10-11H2,1H3,(H,20,21)/t15-,16-/m0/s1.
What are the key properties of 5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indazole?
5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indazole has a molecular weight of 305.39 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indazole is sourced from PubChem (CID 46890954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).