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

C23H23N5 — CID 67977713

IUPACN-[[5-[3-(1,3-dihydroisoindol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(N4Cc5ccccc5C4)c3c2)c1
InChIInChI=1S/C23H23N5/c1-2-24-11-16-9-20(13-25-12-16)17-7-8-22-21(10-17)23(27-26-22)28-14-18-5-3-4-6-19(18)15-28/h3-10,12-13,24H,2,11,14-15H2,1H3,(H,26,27)
InChIKeyJWWXTVBLMMOTQR-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.25
Rot. Bonds5

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

N-[[5-[3-(1,3-dihydroisoindol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 67977713) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[5-[3-(1,3-dihydroisoindol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[3-(1,3-dihydroisoindol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
PubChem CID67977713
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC NameN-[[5-[3-(1,3-dihydroisoindol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(N4Cc5ccccc5C4)c3c2)c1
InChIInChI=1S/C23H23N5/c1-2-24-11-16-9-20(13-25-12-16)17-7-8-22-21(10-17)23(27-26-22)28-14-18-5-3-4-6-19(18)15-28/h3-10,12-13,24H,2,11,14-15H2,1H3,(H,26,27)
InChIKeyJWWXTVBLMMOTQR-UHFFFAOYSA-N
XLogP4.25
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(1,3-dihydroisoindol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-[3-(1,3-dihydroisoindol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (CID 67977713) is N-[[5-[3-(1,3-dihydroisoindol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[3-(1,3-dihydroisoindol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-[3-(1,3-dihydroisoindol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2ccc3[nH]nc(N4Cc5ccccc5C4)c3c2)c1.
What is the InChIKey of N-[[5-[3-(1,3-dihydroisoindol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The InChIKey is JWWXTVBLMMOTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-2-24-11-16-9-20(13-25-12-16)17-7-8-22-21(10-17)23(27-26-22)28-14-18-5-3-4-6-19(18)15-28/h3-10,12-13,24H,2,11,14-15H2,1H3,(H,26,27).
What are the key properties of N-[[5-[3-(1,3-dihydroisoindol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
N-[[5-[3-(1,3-dihydroisoindol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 369.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(1,3-dihydroisoindol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 67977713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).