N-[2-(dimethylamino)-2-oxoethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

C22H22N6O2 — CID 127038325

IUPACN-[2-(dimethylamino)-2-oxoethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12
InChIInChI=1S/C22H22N6O2/c1-26(2)20(29)13-24-22(30)18-15-27(19-5-3-10-23-21(18)19)14-16-6-8-17(9-7-16)28-12-4-11-25-28/h3-12,15H,13-14H2,1-2H3,(H,24,30)
InChIKeyFVRDVPWXXJTFKT-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.09
Rot. Bonds6

About N-[2-(dimethylamino)-2-oxoethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 127038325) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID127038325
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12
InChIInChI=1S/C22H22N6O2/c1-26(2)20(29)13-24-22(30)18-15-27(19-5-3-10-23-21(18)19)14-16-6-8-17(9-7-16)28-12-4-11-25-28/h3-12,15H,13-14H2,1-2H3,(H,24,30)
InChIKeyFVRDVPWXXJTFKT-UHFFFAOYSA-N
XLogP2.09
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (CID 127038325) is N-[2-(dimethylamino)-2-oxoethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is CN(C)C(=O)CNC(=O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is FVRDVPWXXJTFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-26(2)20(29)13-24-22(30)18-15-27(19-5-3-10-23-21(18)19)14-16-6-8-17(9-7-16)28-12-4-11-25-28/h3-12,15H,13-14H2,1-2H3,(H,24,30).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 127038325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).