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

C21H21N5O2 — CID 57396872

IUPACN-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCN(Cc1cccc(OC)c1)C(=O)c1c[nH]c2nc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C21H21N5O2/c1-3-26(13-14-5-4-6-16(9-14)28-2)21(27)18-12-22-20-17(18)7-8-19(25-20)15-10-23-24-11-15/h4-12H,3,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyDWFFOTBUFHRBSA-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.62
Rot. Bonds6

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

N-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 57396872) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID57396872
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCN(Cc1cccc(OC)c1)C(=O)c1c[nH]c2nc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C21H21N5O2/c1-3-26(13-14-5-4-6-16(9-14)28-2)21(27)18-12-22-20-17(18)7-8-19(25-20)15-10-23-24-11-15/h4-12H,3,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyDWFFOTBUFHRBSA-UHFFFAOYSA-N
XLogP3.62
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 57402103
N-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 67108151
1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562576
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 57395101
N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide
CID 113206541
1-ethyl-3-[2-(3-hydroxypropoxy)-4-(1H-pyrazol-4-yl)phenyl]-1-[(3-methoxyphenyl)methyl]urea
CID 68562449
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563058
[3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 178094970
(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 117077630
3-[2-(2-hydroxyethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea
CID 68563409
1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565165
1-[(3-methoxyphenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565455

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 57396872) is N-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is CCN(Cc1cccc(OC)c1)C(=O)c1c[nH]c2nc(-c3cn[nH]c3)ccc12.
What is the InChIKey of N-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is DWFFOTBUFHRBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-3-26(13-14-5-4-6-16(9-14)28-2)21(27)18-12-22-20-17(18)7-8-19(25-20)15-10-23-24-11-15/h4-12H,3,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 57396872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).