N-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C18H16N8O2 — CID 58374732

IUPACN-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(OCc4nn[nH]n4)cc3)n2n1)C1CC1
InChIInChI=1S/C18H16N8O2/c27-17(12-4-5-12)20-18-19-16-3-1-2-14(26(16)23-18)11-6-8-13(9-7-11)28-10-15-21-24-25-22-15/h1-3,6-9,12H,4-5,10H2,(H,20,23,27)(H,21,22,24,25)
InChIKeyFVDFCWOWMAAORR-UHFFFAOYSA-N
MW376.38 g/mol
LogP1.84
Rot. Bonds6

About N-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374732) has the molecular formula C18H16N8O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374732
Molecular FormulaC18H16N8O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC NameN-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(OCc4nn[nH]n4)cc3)n2n1)C1CC1
InChIInChI=1S/C18H16N8O2/c27-17(12-4-5-12)20-18-19-16-3-1-2-14(26(16)23-18)11-6-8-13(9-7-11)28-10-15-21-24-25-22-15/h1-3,6-9,12H,4-5,10H2,(H,20,23,27)(H,21,22,24,25)
InChIKeyFVDFCWOWMAAORR-UHFFFAOYSA-N
XLogP1.84
TPSA122.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539570
5-(4-Ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 726942
2-(Furan-2-yl)-7-(3-(4-methoxyphenyl)propyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10193594
Cyclopropanecarboxylic acid [5-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-amide
CID 24798571
N-[5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42600635
N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide
CID 44602589
n-(5-(3-(Benzyloxy)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 44625983
N-[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 59589639
N-[8-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 70929300
n-(5-(4-((6-Cyanopyridin-3-yl)methoxy)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 44602526
N-[6-(4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539567
N-[6-(2-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539572

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374732) is N-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(OCc4nn[nH]n4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is FVDFCWOWMAAORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O2/c27-17(12-4-5-12)20-18-19-16-3-1-2-14(26(16)23-18)11-6-8-13(9-7-11)28-10-15-21-24-25-22-15/h1-3,6-9,12H,4-5,10H2,(H,20,23,27)(H,21,22,24,25).
What are the key properties of N-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 376.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).