N-[(1S)-1-phenylpropyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzamide

C26H24N6O — CID 167924533

IUPACN-[(1S)-1-phenylpropyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1Cn1cc(-c2cnc3[nH]ccc3c2)nn1)c1ccccc1
InChIInChI=1S/C26H24N6O/c1-2-23(18-8-4-3-5-9-18)29-26(33)22-11-7-6-10-20(22)16-32-17-24(30-31-32)21-14-19-12-13-27-25(19)28-15-21/h3-15,17,23H,2,16H2,1H3,(H,27,28)(H,29,33)/t23-/m0/s1
InChIKeyFNJKWXWPKOQZMP-QHCPKHFHSA-N
MW436.52 g/mol
LogP4.75
Rot. Bonds7

About N-[(1S)-1-phenylpropyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzamide

N-[(1S)-1-phenylpropyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzamide (PubChem CID 167924533) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[(1S)-1-phenylpropyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylpropyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzamide
PubChem CID167924533
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC NameN-[(1S)-1-phenylpropyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1Cn1cc(-c2cnc3[nH]ccc3c2)nn1)c1ccccc1
InChIInChI=1S/C26H24N6O/c1-2-23(18-8-4-3-5-9-18)29-26(33)22-11-7-6-10-20(22)16-32-17-24(30-31-32)21-14-19-12-13-27-25(19)28-15-21/h3-15,17,23H,2,16H2,1H3,(H,27,28)(H,29,33)/t23-/m0/s1
InChIKeyFNJKWXWPKOQZMP-QHCPKHFHSA-N
XLogP4.75
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(1H-indol-5-yl)triazol-1-yl]methyl]-N-(2-methoxy-1-phenylethyl)benzamide
CID 166365579
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CID 167990413
2-[[3-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 167990132
N-[3-hydroxy-1-(4-methoxyphenyl)propyl]-2-[(4-isoquinolin-6-yltriazol-1-yl)methyl]benzamide
CID 167890468
N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-2-[(4-isoquinolin-6-yltriazol-1-yl)methyl]benzamide
CID 166365583
1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide
CID 42213988
N-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide
CID 166365515
2-(1-ethylpyrazol-4-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 19518623
N-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide
CID 167878540
2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 11646686
4-amino-6-methyl-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 81241004
2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylpropyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzamide?
The IUPAC name of N-[(1S)-1-phenylpropyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzamide (CID 167924533) is N-[(1S)-1-phenylpropyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzamide.
What is the SMILES notation for N-[(1S)-1-phenylpropyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzamide?
The canonical SMILES for N-[(1S)-1-phenylpropyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzamide is CC[C@H](NC(=O)c1ccccc1Cn1cc(-c2cnc3[nH]ccc3c2)nn1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylpropyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzamide?
The InChIKey is FNJKWXWPKOQZMP-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H24N6O/c1-2-23(18-8-4-3-5-9-18)29-26(33)22-11-7-6-10-20(22)16-32-17-24(30-31-32)21-14-19-12-13-27-25(19)28-15-21/h3-15,17,23H,2,16H2,1H3,(H,27,28)(H,29,33)/t23-/m0/s1.
What are the key properties of N-[(1S)-1-phenylpropyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzamide?
N-[(1S)-1-phenylpropyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzamide has a molecular weight of 436.52 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylpropyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]benzamide is sourced from PubChem (CID 167924533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).