N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C30H26N8O4S2 — CID 167687812

IUPACN-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CO)s3)n2n1)C1CC1.O=Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1
InChIInChI=1S/C15H14N4O2S.C15H12N4O2S/c2*20-8-10-6-7-12(22-10)11-2-1-3-13-16-15(18-19(11)13)17-14(21)9-4-5-9/h1-3,6-7,9,20H,4-5,8H2,(H,17,18,21);1-3,6-9H,4-5H2,(H,17,18,21)
InChIKeyWMAJZCQYOJBHBG-UHFFFAOYSA-N
MW626.72 g/mol
LogP4.92
Rot. Bonds8

About N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 167687812) has the molecular formula C30H26N8O4S2 and a molecular weight of 626.72 g/mol. Its IUPAC name is N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID167687812
Molecular FormulaC30H26N8O4S2
Molecular Weight626.72 g/mol
Exact Mass626.15
IUPAC NameN-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CO)s3)n2n1)C1CC1.O=Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1
InChIInChI=1S/C15H14N4O2S.C15H12N4O2S/c2*20-8-10-6-7-12(22-10)11-2-1-3-13-16-15(18-19(11)13)17-14(21)9-4-5-9/h1-3,6-7,9,20H,4-5,8H2,(H,17,18,21);1-3,6-9H,4-5H2,(H,17,18,21)
InChIKeyWMAJZCQYOJBHBG-UHFFFAOYSA-N
XLogP4.92
TPSA155.88 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

trans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155673385
trans-(1R,2S)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 156063154
4,4-difluoropiperidine;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 167620380
N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 155673378
N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 155673384
5-[2-(Cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid
CID 156063073
5-[7-(Cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;5-[7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
CID 159694203
N-(cyclopropylmethyl)-5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid
CID 160611307
5-[7-(Cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
CID 160620609
5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-methoxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
CID 161602053
5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid
CID 167593168
N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 167639882

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 167687812) is N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(CO)s3)n2n1)C1CC1.O=Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1.
What is the InChIKey of N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is WMAJZCQYOJBHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S.C15H12N4O2S/c2*20-8-10-6-7-12(22-10)11-2-1-3-13-16-15(18-19(11)13)17-14(21)9-4-5-9/h1-3,6-7,9,20H,4-5,8H2,(H,17,18,21);1-3,6-9H,4-5H2,(H,17,18,21).
What are the key properties of N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 626.72 g/mol, XLogP of 4.92, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 167687812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).