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

C16H17N5O2 — CID 136562914

IUPACN-(1H-indol-7-yl)-1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxamide
SMILESCn1[nH]c(=O)c2c1CN(C(=O)Nc1cccc3cc[nH]c13)CC2
InChIInChI=1S/C16H17N5O2/c1-20-13-9-21(8-6-11(13)15(22)19-20)16(23)18-12-4-2-3-10-5-7-17-14(10)12/h2-5,7,17H,6,8-9H2,1H3,(H,18,23)(H,19,22)
InChIKeyIJXBWQCFVLWFLK-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.78
Rot. Bonds1

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

N-(1H-indol-7-yl)-1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxamide (PubChem CID 136562914) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(1H-indol-7-yl)-1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-7-yl)-1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxamide
PubChem CID136562914
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC NameN-(1H-indol-7-yl)-1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxamide
SMILESCn1[nH]c(=O)c2c1CN(C(=O)Nc1cccc3cc[nH]c13)CC2
InChIInChI=1S/C16H17N5O2/c1-20-13-9-21(8-6-11(13)15(22)19-20)16(23)18-12-4-2-3-10-5-7-17-14(10)12/h2-5,7,17H,6,8-9H2,1H3,(H,18,23)(H,19,22)
InChIKeyIJXBWQCFVLWFLK-UHFFFAOYSA-N
XLogP1.78
TPSA85.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-yl)-1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxamide?
The IUPAC name of N-(1H-indol-7-yl)-1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxamide (CID 136562914) is N-(1H-indol-7-yl)-1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(1H-indol-7-yl)-1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxamide?
The canonical SMILES for N-(1H-indol-7-yl)-1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxamide is Cn1[nH]c(=O)c2c1CN(C(=O)Nc1cccc3cc[nH]c13)CC2.
What is the InChIKey of N-(1H-indol-7-yl)-1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxamide?
The InChIKey is IJXBWQCFVLWFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-20-13-9-21(8-6-11(13)15(22)19-20)16(23)18-12-4-2-3-10-5-7-17-14(10)12/h2-5,7,17H,6,8-9H2,1H3,(H,18,23)(H,19,22).
What are the key properties of N-(1H-indol-7-yl)-1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxamide?
N-(1H-indol-7-yl)-1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-7-yl)-1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxamide is sourced from PubChem (CID 136562914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).