[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide

C52H55N11O3 — CID 143929781

IUPAC[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide
SMILESCC.CC(=O)Nc1ccc(Nc2nc3cccc(-c4ccc(C(=O)N5CCCCC5)cc4)n3n2)cc1.O=C(c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1)N1CCCCC1
InChIInChI=1S/C26H26N6O2.C24H23N5O.C2H6/c1-18(33)27-21-12-14-22(15-13-21)28-26-29-24-7-5-6-23(32(24)30-26)19-8-10-20(11-9-19)25(34)31-16-3-2-4-17-31;30-23(28-16-5-2-6-17-28)19-14-12-18(13-15-19)21-10-7-11-22-26-24(27-29(21)22)25-20-8-3-1-4-9-20;1-2/h5-15H,2-4,16-17H2,1H3,(H,27,33)(H,28,30);1,3-4,7-15H,2,5-6,16-17H2,(H,25,27);1-2H3
InChIKeyNFTYBPVWIOZCSX-UHFFFAOYSA-N
MW882.09 g/mol
LogP10.52
Rot. Bonds9

About [4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide

[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide (PubChem CID 143929781) has the molecular formula C52H55N11O3 and a molecular weight of 882.09 g/mol. Its IUPAC name is [4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide
PubChem CID143929781
Molecular FormulaC52H55N11O3
Molecular Weight882.09 g/mol
Exact Mass881.45
IUPAC Name[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide
SMILESCC.CC(=O)Nc1ccc(Nc2nc3cccc(-c4ccc(C(=O)N5CCCCC5)cc4)n3n2)cc1.O=C(c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1)N1CCCCC1
InChIInChI=1S/C26H26N6O2.C24H23N5O.C2H6/c1-18(33)27-21-12-14-22(15-13-21)28-26-29-24-7-5-6-23(32(24)30-26)19-8-10-20(11-9-19)25(34)31-16-3-2-4-17-31;30-23(28-16-5-2-6-17-28)19-14-12-18(13-15-19)21-10-7-11-22-26-24(27-29(21)22)25-20-8-3-1-4-9-20;1-2/h5-15H,2-4,16-17H2,1H3,(H,27,33)(H,28,30);1,3-4,7-15H,2,5-6,16-17H2,(H,25,27);1-2H3
InChIKeyNFTYBPVWIOZCSX-UHFFFAOYSA-N
XLogP10.52
TPSA154.16 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500882.09
LogP ≤ 510.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze [4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

N-(5-(4-(4,4-difluoropiperidine-1-carbonyl(phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 58374847
4-[4-amino-1-[(2R)-1-but-2-ynoylpyrrolidin-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide
CID 168279948
US9555022, Example 04.34
CID 68002500
US9873709, Example 2-50
CID 117950683
US9873709, Example 2-218
CID 117950733
US9873709, Example 2-155
CID 117950849
US9873709, Example 2-156
CID 117950850
US9873709, Example 2-215
CID 117951034
US9873709, Example 2-404
CID 121434798
US9873709, Example 2-468
CID 121434976
N-(5-(4-(4-(trifluoromethyl)piperidine-1-carbonyl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 44625360
N-(5-(4-(4-fluoropiperidine-1-carbonyl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 44625520

Frequently Asked Questions

What is the IUPAC name of [4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide?
The IUPAC name of [4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide (CID 143929781) is [4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for [4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for [4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide is CC.CC(=O)Nc1ccc(Nc2nc3cccc(-c4ccc(C(=O)N5CCCCC5)cc4)n3n2)cc1.O=C(c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1)N1CCCCC1.
What is the InChIKey of [4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide?
The InChIKey is NFTYBPVWIOZCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2.C24H23N5O.C2H6/c1-18(33)27-21-12-14-22(15-13-21)28-26-29-24-7-5-6-23(32(24)30-26)19-8-10-20(11-9-19)25(34)31-16-3-2-4-17-31;30-23(28-16-5-2-6-17-28)19-14-12-18(13-15-19)21-10-7-11-22-26-24(27-29(21)22)25-20-8-3-1-4-9-20;1-2/h5-15H,2-4,16-17H2,1H3,(H,27,33)(H,28,30);1,3-4,7-15H,2,5-6,16-17H2,(H,25,27);1-2H3.
What are the key properties of [4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide?
[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide has a molecular weight of 882.09 g/mol, XLogP of 10.52, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-piperidin-1-ylmethanone;ethane;N-[4-[[5-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 143929781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).