N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide

C18H17N7O — CID 138809256

IUPACN-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESO=C(NC(CCn1cncn1)c1ccccc1)c1ccc2cn[nH]c2n1
InChIInChI=1S/C18H17N7O/c26-18(16-7-6-14-10-20-24-17(14)22-16)23-15(13-4-2-1-3-5-13)8-9-25-12-19-11-21-25/h1-7,10-12,15H,8-9H2,(H,23,26)(H,20,22,24)
InChIKeyMFLQZKTWJZHOCA-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.11
Rot. Bonds6

About N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide

N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 138809256) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID138809256
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC NameN-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESO=C(NC(CCn1cncn1)c1ccccc1)c1ccc2cn[nH]c2n1
InChIInChI=1S/C18H17N7O/c26-18(16-7-6-14-10-20-24-17(14)22-16)23-15(13-4-2-1-3-5-13)8-9-25-12-19-11-21-25/h1-7,10-12,15H,8-9H2,(H,23,26)(H,20,22,24)
InChIKeyMFLQZKTWJZHOCA-UHFFFAOYSA-N
XLogP2.11
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 97140479
3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
CID 90647997
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 99992535
6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 146128301
N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146041158
2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99999473
7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 99995548
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99974724
2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 90652831
2-cyclopropyl-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-benzoxazole-6-carboxamide
CID 25301438
3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96575326

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide (CID 138809256) is N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide is O=C(NC(CCn1cncn1)c1ccccc1)c1ccc2cn[nH]c2n1.
What is the InChIKey of N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is MFLQZKTWJZHOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c26-18(16-7-6-14-10-20-24-17(14)22-16)23-15(13-4-2-1-3-5-13)8-9-25-12-19-11-21-25/h1-7,10-12,15H,8-9H2,(H,23,26)(H,20,22,24).
What are the key properties of N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 138809256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).