N-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide

C26H23N5O2 — CID 90028027

IUPACN-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide
SMILESO=C(CO)NCc1cccc(-c2cnc3[nH]cc(-c4cnn(Cc5ccccc5)c4)c3c2)c1
InChIInChI=1S/C26H23N5O2/c32-17-25(33)27-11-19-7-4-8-20(9-19)21-10-23-24(14-29-26(23)28-12-21)22-13-30-31(16-22)15-18-5-2-1-3-6-18/h1-10,12-14,16,32H,11,15,17H2,(H,27,33)(H,28,29)
InChIKeyDQSRAVNJEGGNBD-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.75
Rot. Bonds7

About N-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide

N-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide (PubChem CID 90028027) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide
PubChem CID90028027
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide
SMILESO=C(CO)NCc1cccc(-c2cnc3[nH]cc(-c4cnn(Cc5ccccc5)c4)c3c2)c1
InChIInChI=1S/C26H23N5O2/c32-17-25(33)27-11-19-7-4-8-20(9-19)21-10-23-24(14-29-26(23)28-12-21)22-13-30-31(16-22)15-18-5-2-1-3-6-18/h1-10,12-14,16,32H,11,15,17H2,(H,27,33)(H,28,29)
InChIKeyDQSRAVNJEGGNBD-UHFFFAOYSA-N
XLogP3.75
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]acetamide
CID 90071324
2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide
CID 90029204
2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide
CID 90919532
3-(1-benzylpyrazol-4-yl)-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine
CID 72943450
[5-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]-piperazin-1-ylmethanone
CID 90028656
2-[4-[[3-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]piperidin-1-yl]acetamide
CID 72944958
1-benzyl-N-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 71680467
1-[4-[[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl]piperazin-1-yl]ethanone
CID 141403762
[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
CID 90029963
tert-butyl 4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]piperazine-1-carboxylate
CID 90028518
1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 71678285
[5-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]-(3-methoxyazetidin-1-yl)methanone
CID 90028335

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide?
The IUPAC name of N-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide (CID 90028027) is N-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide is O=C(CO)NCc1cccc(-c2cnc3[nH]cc(-c4cnn(Cc5ccccc5)c4)c3c2)c1.
What is the InChIKey of N-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide?
The InChIKey is DQSRAVNJEGGNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c32-17-25(33)27-11-19-7-4-8-20(9-19)21-10-23-24(14-29-26(23)28-12-21)22-13-30-31(16-22)15-18-5-2-1-3-6-18/h1-10,12-14,16,32H,11,15,17H2,(H,27,33)(H,28,29).
What are the key properties of N-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide?
N-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide has a molecular weight of 437.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 90028027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).