N-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine

C23H21N5 — CID 137115539

IUPACN-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4cc5ccccc5[nH]4)c3c2)c1
InChIInChI=1S/C23H21N5/c1-2-24-12-15-9-18(14-25-13-15)16-7-8-21-19(10-16)23(28-27-21)22-11-17-5-3-4-6-20(17)26-22/h3-11,13-14,24,26H,2,12H2,1H3,(H,27,28)
InChIKeyVBIFDVXGPKBFPQ-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.88
Rot. Bonds5

About N-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine

N-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 137115539) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
PubChem CID137115539
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC NameN-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4cc5ccccc5[nH]4)c3c2)c1
InChIInChI=1S/C23H21N5/c1-2-24-12-15-9-18(14-25-13-15)16-7-8-21-19(10-16)23(28-27-21)22-11-17-5-3-4-6-20(17)26-22/h3-11,13-14,24,26H,2,12H2,1H3,(H,27,28)
InChIKeyVBIFDVXGPKBFPQ-UHFFFAOYSA-N
XLogP4.88
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (CID 137115539) is N-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2ccc3[nH]nc(-c4cc5ccccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The InChIKey is VBIFDVXGPKBFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-2-24-12-15-9-18(14-25-13-15)16-7-8-21-19(10-16)23(28-27-21)22-11-17-5-3-4-6-20(17)26-22/h3-11,13-14,24,26H,2,12H2,1H3,(H,27,28).
What are the key properties of N-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
N-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 367.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 137115539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).