[4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol

C26H31N7O2 — CID 163784466

IUPAC[4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol
SMILESCOc1cccc(-c2cccc3nc(Nc4ccc(C(O)NCCN5CCNCC5)cc4)nn23)c1
InChIInChI=1S/C26H31N7O2/c1-35-22-5-2-4-20(18-22)23-6-3-7-24-30-26(31-33(23)24)29-21-10-8-19(9-11-21)25(34)28-14-17-32-15-12-27-13-16-32/h2-11,18,25,27-28,34H,12-17H2,1H3,(H,29,31)
InChIKeyMRINWDWYSNHOEM-UHFFFAOYSA-N
MW473.58 g/mol
LogP2.63
Rot. Bonds9

About [4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol

[4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol (PubChem CID 163784466) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is [4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol.

Molecular Properties

Compound Name[4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol
PubChem CID163784466
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name[4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol
SMILESCOc1cccc(-c2cccc3nc(Nc4ccc(C(O)NCCN5CCNCC5)cc4)nn23)c1
InChIInChI=1S/C26H31N7O2/c1-35-22-5-2-4-20(18-22)23-6-3-7-24-30-26(31-33(23)24)29-21-10-8-19(9-11-21)25(34)28-14-17-32-15-12-27-13-16-32/h2-11,18,25,27-28,34H,12-17H2,1H3,(H,29,31)
InChIKeyMRINWDWYSNHOEM-UHFFFAOYSA-N
XLogP2.63
TPSA98.98 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59186275
N-(2-methoxyethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59186391
N-(2-aminoethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44556015
5-(3-fluorophenyl)-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186452
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 44624635
N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide
CID 147531667
5-[3-[(3-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589990
5-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44624426
5-(3-aminophenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589844
3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanone
CID 158772855
5-(4-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44624158
1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one
CID 148943934

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol?
The IUPAC name of [4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol (CID 163784466) is [4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol.
What is the SMILES notation for [4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol?
The canonical SMILES for [4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol is COc1cccc(-c2cccc3nc(Nc4ccc(C(O)NCCN5CCNCC5)cc4)nn23)c1.
What is the InChIKey of [4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol?
The InChIKey is MRINWDWYSNHOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-35-22-5-2-4-20(18-22)23-6-3-7-24-30-26(31-33(23)24)29-21-10-8-19(9-11-21)25(34)28-14-17-32-15-12-27-13-16-32/h2-11,18,25,27-28,34H,12-17H2,1H3,(H,29,31).
What are the key properties of [4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol?
[4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol has a molecular weight of 473.58 g/mol, XLogP of 2.63, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol is sourced from PubChem (CID 163784466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).