Hth-01-015

C26H28N8O — CID 78357766

IUPAC2,7,9-trimethyl-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]-2,4,6,9-tetrazatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one
SMILESCC1=C2C(=NC(=N1)NC3=CN(N=C3)C4CCNCC4)N(C5=CC6=CC=CC=C6C=C5C(=O)N2C)C
InChIInChI=1S/C26H28N8O/c1-16-23-24(31-26(29-16)30-19-14-28-34(15-19)20-8-10-27-11-9-20)32(2)22-13-18-7-5-4-6-17(18)12-21(22)25(35)33(23)3/h4-7,12-15,20,27H,8-11H2,1-3H3,(H,29,30,31)
InChIKeyCHSDJDLAKKAWCI-UHFFFAOYSA-N
MW468.60 g/mol
LogP3.20
Rot. Bonds3

About Hth-01-015

Hth-01-015 (PubChem CID 78357766) has the molecular formula C26H28N8O and a molecular weight of 468.60 g/mol. Its IUPAC name is 2,7,9-trimethyl-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]-2,4,6,9-tetrazatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one.

Molecular Properties

Compound NameHth-01-015
PubChem CID78357766
Molecular FormulaC26H28N8O
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC Name2,7,9-trimethyl-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]-2,4,6,9-tetrazatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one
SMILESCC1=C2C(=NC(=N1)NC3=CN(N=C3)C4CCNCC4)N(C5=CC6=CC=CC=C6C=C5C(=O)N2C)C
InChIInChI=1S/C26H28N8O/c1-16-23-24(31-26(29-16)30-19-14-28-34(15-19)20-8-10-27-11-9-20)32(2)22-13-18-7-5-4-6-17(18)12-21(22)25(35)33(23)3/h4-7,12-15,20,27H,8-11H2,1-3H3,(H,29,30,31)
InChIKeyCHSDJDLAKKAWCI-UHFFFAOYSA-N
XLogP3.20
TPSA91.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity762

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze Hth-01-015 with MolForge

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

Launch Full Analysis

Related Compounds

Ponatinib
CID 24826799
Bafetinib
CID 11387605
Ponatinib Hydrochloride
CID 46908927
6-(6-(4-(2-(2-(Adamantan-1-yl)acetamido)ethyl)piperazin-1-yl)pyridin-3-yl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-1H-indazole-4-carboxamide
CID 139211327
Gsk 343
CID 71268957
Unc1999
CID 72551585
Benzamide, 3-(2-imidazo(1,2-b)pyridazin-3-ylethynyl)-4-methyl-N-(4-(1-piperazinylmethyl)-3-(trifluoromethyl)phenyl)-
CID 24826880
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 21
CID 57340669
2-[4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)anilino]-5,11-dimethyl-6-pyrimido[4,5-b][1,4]benzodiazepinone
CID 57340671
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 24
CID 57340672
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 25
CID 57340673
2,3-Dihydro-1-(5-methyl-1-phenylpyrazol4-yl carbonyl)-8-(4methylpiperazin-1-yl)pyrrolo[3,2-g]isoquinoline
CID 9955522

Frequently Asked Questions

What is the IUPAC name of Hth-01-015?
The IUPAC name of Hth-01-015 (CID 78357766) is 2,7,9-trimethyl-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]-2,4,6,9-tetrazatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one.
What is the SMILES notation for Hth-01-015?
The canonical SMILES for Hth-01-015 is CC1=C2C(=NC(=N1)NC3=CN(N=C3)C4CCNCC4)N(C5=CC6=CC=CC=C6C=C5C(=O)N2C)C.
What is the InChIKey of Hth-01-015?
The InChIKey is CHSDJDLAKKAWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O/c1-16-23-24(31-26(29-16)30-19-14-28-34(15-19)20-8-10-27-11-9-20)32(2)22-13-18-7-5-4-6-17(18)12-21(22)25(35)33(23)3/h4-7,12-15,20,27H,8-11H2,1-3H3,(H,29,30,31).
What are the key properties of Hth-01-015?
Hth-01-015 has a molecular weight of 468.60 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Hth-01-015 is sourced from PubChem (CID 78357766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).