N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine

C23H24N10 — CID 171729600

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1nnc2ccc(-n3ncc4cnc(Nc5ccc(N6CCN(C)CC6)cc5)nc43)cn12
InChIInChI=1S/C23H24N10/c1-16-28-29-21-8-7-20(15-32(16)21)33-22-17(14-25-33)13-24-23(27-22)26-18-3-5-19(6-4-18)31-11-9-30(2)10-12-31/h3-8,13-15H,9-12H2,1-2H3,(H,24,26,27)
InChIKeyBVZOOBVISQRBQM-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.66
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine

N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 171729600) has the molecular formula C23H24N10 and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID171729600
Molecular FormulaC23H24N10
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1nnc2ccc(-n3ncc4cnc(Nc5ccc(N6CCN(C)CC6)cc5)nc43)cn12
InChIInChI=1S/C23H24N10/c1-16-28-29-21-8-7-20(15-32(16)21)33-22-17(14-25-33)13-24-23(27-22)26-18-3-5-19(6-4-18)31-11-9-30(2)10-12-31/h3-8,13-15H,9-12H2,1-2H3,(H,24,26,27)
InChIKeyBVZOOBVISQRBQM-UHFFFAOYSA-N
XLogP2.66
TPSA92.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine with MolForge

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-1-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 25000971
2-[5-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[3,4-d]pyrimidin-1-yl]-3-pyridinyl]propan-2-ol
CID 171729698
1-(1-ethylindol-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 171729602
6-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[3,4-d]pyrimidin-1-yl]-2,3-dihydroisoindol-1-one
CID 171729566
tert-butyl 7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[3,4-d]pyrimidin-1-yl]indole-1-carboxylate
CID 24998719
N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68702089
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine
CID 153407157
4-N,5-dimethyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;tris(phosphanyl)phosphane
CID 157145988
5-ethynyl-6,8-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 171546997
4-N-(4-methylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901954
benzene;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 159793843
8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 70934528

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 171729600) is N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine is Cc1nnc2ccc(-n3ncc4cnc(Nc5ccc(N6CCN(C)CC6)cc5)nc43)cn12.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is BVZOOBVISQRBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N10/c1-16-28-29-21-8-7-20(15-32(16)21)33-22-17(14-25-33)13-24-23(27-22)26-18-3-5-19(6-4-18)31-11-9-30(2)10-12-31/h3-8,13-15H,9-12H2,1-2H3,(H,24,26,27).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 440.52 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 171729600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).