1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide

C23H18N6O — CID 71678285

IUPAC1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2ncc(-c3ccncc3)cc12)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C23H18N6O/c30-23(19-12-27-29(15-19)14-16-4-2-1-3-5-16)28-21-13-26-22-20(21)10-18(11-25-22)17-6-8-24-9-7-17/h1-13,15H,14H2,(H,25,26)(H,28,30)
InChIKeyYGPFFZKSUPWOQT-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.12
Rot. Bonds5

About 1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide

1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide (PubChem CID 71678285) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
PubChem CID71678285
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2ncc(-c3ccncc3)cc12)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C23H18N6O/c30-23(19-12-27-29(15-19)14-16-4-2-1-3-5-16)28-21-13-26-22-20(21)10-18(11-25-22)17-6-8-24-9-7-17/h1-13,15H,14H2,(H,25,26)(H,28,30)
InChIKeyYGPFFZKSUPWOQT-UHFFFAOYSA-N
XLogP4.12
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 71679960
1-benzyl-N-[5-[4-[2-(dimethylamino)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 156576917
1-benzyl-N-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 71680467
N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 10222445
1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 71678969
2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide
CID 90029204
2-amino-N-[[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]acetamide
CID 90071324
N-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide
CID 90028027
N-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 10181158
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid
CID 159423079
N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide
CID 87045497

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide (CID 71678285) is 1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide is O=C(Nc1c[nH]c2ncc(-c3ccncc3)cc12)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide?
The InChIKey is YGPFFZKSUPWOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c30-23(19-12-27-29(15-19)14-16-4-2-1-3-5-16)28-21-13-26-22-20(21)10-18(11-25-22)17-6-8-24-9-7-17/h1-13,15H,14H2,(H,25,26)(H,28,30).
What are the key properties of 1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide?
1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 71678285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).