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

C22H20N6 — CID 137116508

IUPACN-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4cc5ccncc5[nH]4)c3c2)c1
InChIInChI=1S/C22H20N6/c1-2-23-10-14-7-17(12-25-11-14)15-3-4-19-18(8-15)22(28-27-19)20-9-16-5-6-24-13-21(16)26-20/h3-9,11-13,23,26H,2,10H2,1H3,(H,27,28)
InChIKeyGGKPDKMMEREKHN-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.28
Rot. Bonds5

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

N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 137116508) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
PubChem CID137116508
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC NameN-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4cc5ccncc5[nH]4)c3c2)c1
InChIInChI=1S/C22H20N6/c1-2-23-10-14-7-17(12-25-11-14)15-3-4-19-18(8-15)22(28-27-19)20-9-16-5-6-24-13-21(16)26-20/h3-9,11-13,23,26H,2,10H2,1H3,(H,27,28)
InChIKeyGGKPDKMMEREKHN-UHFFFAOYSA-N
XLogP4.28
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137116253
N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145252682
N-[[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137112790
N-[[3-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137116468
N-[[3-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137116136
N-[[5-[3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 157286632
N-[[5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137280509
N-[[5-[3-(1,3-dihydroisoindol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 67977713
N-[[5-[3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 145253733
N-[[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137113427
1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole
CID 145253751
N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137014579

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (CID 137116508) is N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2ccc3[nH]nc(-c4cc5ccncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The InChIKey is GGKPDKMMEREKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-2-23-10-14-7-17(12-25-11-14)15-3-4-19-18(8-15)22(28-27-19)20-9-16-5-6-24-13-21(16)26-20/h3-9,11-13,23,26H,2,10H2,1H3,(H,27,28).
What are the key properties of N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 368.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 137116508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).