N-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C23H22N6O2 — CID 166622118

IUPACN-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1n[nH]c2c1CCN(C(=O)c1ccccn1)C2
InChIInChI=1S/C23H22N6O2/c30-22(25-11-8-15-13-26-18-6-2-1-5-16(15)18)21-17-9-12-29(14-20(17)27-28-21)23(31)19-7-3-4-10-24-19/h1-7,10,13,26H,8-9,11-12,14H2,(H,25,30)(H,27,28)
InChIKeyLTPYQGXUCUBMPT-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.46
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166622118) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166622118
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1n[nH]c2c1CCN(C(=O)c1ccccn1)C2
InChIInChI=1S/C23H22N6O2/c30-22(25-11-8-15-13-26-18-6-2-1-5-16(15)18)21-17-9-12-29(14-20(17)27-28-21)23(31)19-7-3-4-10-24-19/h1-7,10,13,26H,8-9,11-12,14H2,(H,25,30)(H,27,28)
InChIKeyLTPYQGXUCUBMPT-UHFFFAOYSA-N
XLogP2.46
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 107518048
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166613110
N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 17418655
N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702006
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203848
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 84576774
3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]methanone
CID 109191971
2-(1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110815945
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8620098
N-[2-(1H-indol-3-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581080
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid
CID 53270372

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 166622118) is N-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1n[nH]c2c1CCN(C(=O)c1ccccn1)C2.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is LTPYQGXUCUBMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c30-22(25-11-8-15-13-26-18-6-2-1-5-16(15)18)21-17-9-12-29(14-20(17)27-28-21)23(31)19-7-3-4-10-24-19/h1-7,10,13,26H,8-9,11-12,14H2,(H,25,30)(H,27,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166622118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).