4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide

C82H89N21O3 — CID 87238175

IUPAC4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)c3ncnn23)cc1.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCN(C5CCC5)CC4)cc3)c3ncnn23)cc1.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCN(C5CCCCC5)CC4)cc3)c3ncnn23)cc1
InChIInChI=1S/C29H33N7O.C27H29N7O.C26H27N7O/c30-28(37)22-8-6-21(7-9-22)27-15-14-26(29-31-20-32-36(27)29)33-23-10-12-25(13-11-23)35-18-16-34(17-19-35)24-4-2-1-3-5-24;28-26(35)20-6-4-19(5-7-20)25-13-12-24(27-29-18-30-34(25)27)31-21-8-10-23(11-9-21)33-16-14-32(15-17-33)22-2-1-3-22;27-25(34)19-3-1-18(2-4-19)24-12-11-23(26-28-17-29-33(24)26)30-20-5-7-21(8-6-20)31-13-15-32(16-14-31)22-9-10-22/h6-15,20,24,33H,1-5,16-19H2,(H2,30,37);4-13,18,22,31H,1-3,14-17H2,(H2,28,35);1-8,11-12,17,22,30H,9-10,13-16H2,(H2,27,34)
InChIKeyCQUPFFHURYJEKC-UHFFFAOYSA-N
MW1416.76 g/mol
LogP12.13
Rot. Bonds18

About 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide

4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide (PubChem CID 87238175) has the molecular formula C82H89N21O3 and a molecular weight of 1416.76 g/mol. Its IUPAC name is 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide
PubChem CID87238175
Molecular FormulaC82H89N21O3
Molecular Weight1416.76 g/mol
Exact Mass1415.75
IUPAC Name4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)c3ncnn23)cc1.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCN(C5CCC5)CC4)cc3)c3ncnn23)cc1.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCN(C5CCCCC5)CC4)cc3)c3ncnn23)cc1
InChIInChI=1S/C29H33N7O.C27H29N7O.C26H27N7O/c30-28(37)22-8-6-21(7-9-22)27-15-14-26(29-31-20-32-36(27)29)33-23-10-12-25(13-11-23)35-18-16-34(17-19-35)24-4-2-1-3-5-24;28-26(35)20-6-4-19(5-7-20)25-13-12-24(27-29-18-30-34(25)27)31-21-8-10-23(11-9-21)33-16-14-32(15-17-33)22-2-1-3-22;27-25(34)19-3-1-18(2-4-19)24-12-11-23(26-28-17-29-33(24)26)30-20-5-7-21(8-6-20)31-13-15-32(16-14-31)22-9-10-22/h6-15,20,24,33H,1-5,16-19H2,(H2,30,37);4-13,18,22,31H,1-3,14-17H2,(H2,28,35);1-8,11-12,17,22,30H,9-10,13-16H2,(H2,27,34)
InChIKeyCQUPFFHURYJEKC-UHFFFAOYSA-N
XLogP12.13
TPSA275.37 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001416.76
LogP ≤ 512.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide?
The IUPAC name of 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide (CID 87238175) is 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide.
What is the SMILES notation for 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide?
The canonical SMILES for 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide is NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)c3ncnn23)cc1.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCN(C5CCC5)CC4)cc3)c3ncnn23)cc1.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCN(C5CCCCC5)CC4)cc3)c3ncnn23)cc1.
What is the InChIKey of 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide?
The InChIKey is CQUPFFHURYJEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O.C27H29N7O.C26H27N7O/c30-28(37)22-8-6-21(7-9-22)27-15-14-26(29-31-20-32-36(27)29)33-23-10-12-25(13-11-23)35-18-16-34(17-19-35)24-4-2-1-3-5-24;28-26(35)20-6-4-19(5-7-20)25-13-12-24(27-29-18-30-34(25)27)31-21-8-10-23(11-9-21)33-16-14-32(15-17-33)22-2-1-3-22;27-25(34)19-3-1-18(2-4-19)24-12-11-23(26-28-17-29-33(24)26)30-20-5-7-21(8-6-20)31-13-15-32(16-14-31)22-9-10-22/h6-15,20,24,33H,1-5,16-19H2,(H2,30,37);4-13,18,22,31H,1-3,14-17H2,(H2,28,35);1-8,11-12,17,22,30H,9-10,13-16H2,(H2,27,34).
What are the key properties of 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide?
4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide has a molecular weight of 1416.76 g/mol, XLogP of 12.13, 18 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclohexylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide is sourced from PubChem (CID 87238175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).