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

C19H20N4 — CID 46890955

IUPAC5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole
SMILESCN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]ccc3c2)cn1
InChIInChI=1S/C19H20N4/c1-22-11-17-9-16(22)12-23(17)19-5-3-15(10-21-19)13-2-4-18-14(8-13)6-7-20-18/h2-8,10,16-17,20H,9,11-12H2,1H3/t16-,17-/m0/s1
InChIKeyGFMDHQIKVJNHNJ-IRXDYDNUSA-N
MW304.40 g/mol
LogP3.12
Rot. Bonds2

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

5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole (PubChem CID 46890955) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole.

Molecular Properties

Compound Name5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole
PubChem CID46890955
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole
SMILESCN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]ccc3c2)cn1
InChIInChI=1S/C19H20N4/c1-22-11-17-9-16(22)12-23(17)19-5-3-15(10-21-19)13-2-4-18-14(8-13)6-7-20-18/h2-8,10,16-17,20H,9,11-12H2,1H3/t16-,17-/m0/s1
InChIKeyGFMDHQIKVJNHNJ-IRXDYDNUSA-N
XLogP3.12
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-indole?
The IUPAC name of 5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole (CID 46890955) is 5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole.
What is the SMILES notation for 5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole?
The canonical SMILES for 5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole is CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]ccc3c2)cn1.
What is the InChIKey of 5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole?
The InChIKey is GFMDHQIKVJNHNJ-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H20N4/c1-22-11-17-9-16(22)12-23(17)19-5-3-15(10-21-19)13-2-4-18-14(8-13)6-7-20-18/h2-8,10,16-17,20H,9,11-12H2,1H3/t16-,17-/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-indole?
5-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole has a molecular weight of 304.40 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 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-indole is sourced from PubChem (CID 46890955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).