N-[5-[4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C24H22N4O3 — CID 118724199

IUPACN-[5-[4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(Cc4ccc(O)c(CO)c4)cc3)n2n1)C1CC1
InChIInChI=1S/C24H22N4O3/c29-14-19-13-16(6-11-21(19)30)12-15-4-7-17(8-5-15)20-2-1-3-22-25-24(27-28(20)22)26-23(31)18-9-10-18/h1-8,11,13,18,29-30H,9-10,12,14H2,(H,26,27,31)
InChIKeyOJDRVJFLSIDYTH-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.53
Rot. Bonds6

About N-[5-[4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 118724199) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[5-[4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID118724199
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[5-[4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(Cc4ccc(O)c(CO)c4)cc3)n2n1)C1CC1
InChIInChI=1S/C24H22N4O3/c29-14-19-13-16(6-11-21(19)30)12-15-4-7-17(8-5-15)20-2-1-3-22-25-24(27-28(20)22)26-23(31)18-9-10-18/h1-8,11,13,18,29-30H,9-10,12,14H2,(H,26,27,31)
InChIKeyOJDRVJFLSIDYTH-UHFFFAOYSA-N
XLogP3.53
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 135435008
N-[6-(2-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 135435010
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-(5-(3-(Benzyloxy)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 44625983
N-[5-[4-(2-cyano-1-hydroxyprop-2-enyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 153530005
4-[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide
CID 44576884
N-(5-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 118724190
N-[6-(4-hydroxyphenyl)-5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 135416016
N-(5-(4-(benzyloxy)-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 58374605
N-(5-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 44625609
N-(5-(4-(benzyloxy)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 44625982

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 118724199) is N-[5-[4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(Cc4ccc(O)c(CO)c4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is OJDRVJFLSIDYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c29-14-19-13-16(6-11-21(19)30)12-15-4-7-17(8-5-15)20-2-1-3-22-25-24(27-28(20)22)26-23(31)18-9-10-18/h1-8,11,13,18,29-30H,9-10,12,14H2,(H,26,27,31).
What are the key properties of N-[5-[4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 118724199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).