N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide

C28H31N7O2 — CID 147531667

IUPACN-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cccc3nc(Nc4ccc(C(=O)CCCN5CCNCC5)cc4)nn23)c1
InChIInChI=1S/C28H31N7O2/c1-20(36)30-24-6-2-5-22(19-24)25-7-3-9-27-32-28(33-35(25)27)31-23-12-10-21(11-13-23)26(37)8-4-16-34-17-14-29-15-18-34/h2-3,5-7,9-13,19,29H,4,8,14-18H2,1H3,(H,30,36)(H,31,33)
InChIKeyFNDSPOZNQULTSH-UHFFFAOYSA-N
MW497.60 g/mol
LogP3.97
Rot. Bonds9

About N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide

N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide (PubChem CID 147531667) has the molecular formula C28H31N7O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide
PubChem CID147531667
Molecular FormulaC28H31N7O2
Molecular Weight497.60 g/mol
Exact Mass497.25
IUPAC NameN-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cccc3nc(Nc4ccc(C(=O)CCCN5CCNCC5)cc4)nn23)c1
InChIInChI=1S/C28H31N7O2/c1-20(36)30-24-6-2-5-22(19-24)25-7-3-9-27-32-28(33-35(25)27)31-23-12-10-21(11-13-23)26(37)8-4-16-34-17-14-29-15-18-34/h2-3,5-7,9-13,19,29H,4,8,14-18H2,1H3,(H,30,36)(H,31,33)
InChIKeyFNDSPOZNQULTSH-UHFFFAOYSA-N
XLogP3.97
TPSA103.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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
4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide
CID 44556160
4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 59186261
4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59186532
[4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol
CID 163784466
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
4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59186275
4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59276580
3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide
CID 67293656
4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 91017506
N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 141394362
4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 59186371

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide (CID 147531667) is N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cccc3nc(Nc4ccc(C(=O)CCCN5CCNCC5)cc4)nn23)c1.
What is the InChIKey of N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide?
The InChIKey is FNDSPOZNQULTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O2/c1-20(36)30-24-6-2-5-22(19-24)25-7-3-9-27-32-28(33-35(25)27)31-23-12-10-21(11-13-23)26(37)8-4-16-34-17-14-29-15-18-34/h2-3,5-7,9-13,19,29H,4,8,14-18H2,1H3,(H,30,36)(H,31,33).
What are the key properties of N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide?
N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide has a molecular weight of 497.60 g/mol, XLogP of 3.97, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide is sourced from PubChem (CID 147531667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).