N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C20H19N5O2 — CID 57397801

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN(CC1=CC(=CC=C1)OC)C(=O)C2=CC3=C(N2)N=C(C=C3)C4=CNN=C4
InChIInChI=1S/C20H19N5O2/c1-25(12-13-4-3-5-16(8-13)27-2)20(26)18-9-14-6-7-17(23-19(14)24-18)15-10-21-22-11-15/h3-11H,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeySIYJLMVIVBKINW-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.50
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 57397801) has the molecular formula C20H19N5O2 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID57397801
Molecular FormulaC20H19N5O2
Molecular Weight361.40 g/mol
Exact Mass361.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN(CC1=CC(=CC=C1)OC)C(=O)C2=CC3=C(N2)N=C(C=C3)C4=CNN=C4
InChIInChI=1S/C20H19N5O2/c1-25(12-13-4-3-5-16(8-13)27-2)20(26)18-9-14-6-7-17(23-19(14)24-18)15-10-21-22-11-15/h3-11H,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeySIYJLMVIVBKINW-UHFFFAOYSA-N
XLogP2.50
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity519

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 57397801) is N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CN(CC1=CC(=CC=C1)OC)C(=O)C2=CC3=C(N2)N=C(C=C3)C4=CNN=C4.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is SIYJLMVIVBKINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25(12-13-4-3-5-16(8-13)27-2)20(26)18-9-14-6-7-17(23-19(14)24-18)15-10-21-22-11-15/h3-11H,12H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 57397801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).