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

C18H19N5 — CID 46890772

IUPAC5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole
SMILESCN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3[nH]ccc3c2)cn1
InChIInChI=1S/C18H19N5/c1-22-10-15-7-14(22)11-23(15)18-9-20-17(8-21-18)12-2-3-16-13(6-12)4-5-19-16/h2-6,8-9,14-15,19H,7,10-11H2,1H3/t14-,15-/m0/s1
InChIKeyKVRFATCLIRGVFB-GJZGRUSLSA-N
MW305.38 g/mol
LogP2.52
Rot. Bonds2

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

5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole (PubChem CID 46890772) has the molecular formula C18H19N5 and a molecular weight of 305.38 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-indole.

Molecular Properties

Compound Name5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole
PubChem CID46890772
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole
SMILESCN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3[nH]ccc3c2)cn1
InChIInChI=1S/C18H19N5/c1-22-10-15-7-14(22)11-23(15)18-9-20-17(8-21-18)12-2-3-16-13(6-12)4-5-19-16/h2-6,8-9,14-15,19H,7,10-11H2,1H3/t14-,15-/m0/s1
InChIKeyKVRFATCLIRGVFB-GJZGRUSLSA-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 ≤ 500305.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Toreforant
CID 23650961
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
Pazelliptine
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Akn-028
CID 44177328
BN-81,644
CID 9802572
2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100
N-(2,6-Dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44422489
N-[(1-ethylpyrrolidin-2-yl)methyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine
CID 664284
3-Imidazol-1-ylmethyl-1H-indole
CID 792486
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
1,3-Propanediamine, N'-(6,11-dimethyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-N,N-dimethyl-
CID 3056049
1,3-Propanediamine, N-ethyl-N'-(6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-, hemihydrate
CID 3068864

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-indole?
The IUPAC name of 5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole (CID 46890772) is 5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole.
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-indole?
The canonical SMILES for 5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole is CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3[nH]ccc3c2)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-indole?
The InChIKey is KVRFATCLIRGVFB-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H19N5/c1-22-10-15-7-14(22)11-23(15)18-9-20-17(8-21-18)12-2-3-16-13(6-12)4-5-19-16/h2-6,8-9,14-15,19H,7,10-11H2,1H3/t14-,15-/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-indole?
5-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole has a molecular weight of 305.38 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-[5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazin-2-yl]-1H-indole is sourced from PubChem (CID 46890772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).