N-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine

C24H23N7OS — CID 59130324

IUPACN-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(N2CCN(c3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)CC2)cc1
InChIInChI=1S/C24H23N7OS/c1-32-19-5-3-18(4-6-19)30-9-11-31(12-10-30)24-27-21-8-13-33-22(21)23(28-24)26-17-2-7-20-16(14-17)15-25-29-20/h2-8,13-15H,9-12H2,1H3,(H,25,29)(H,26,27,28)
InChIKeyUKJITNXLJTWKSO-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.65
Rot. Bonds5

About N-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine

N-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 59130324) has the molecular formula C24H23N7OS and a molecular weight of 457.56 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID59130324
Molecular FormulaC24H23N7OS
Molecular Weight457.56 g/mol
Exact Mass457.17
IUPAC NameN-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(N2CCN(c3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)CC2)cc1
InChIInChI=1S/C24H23N7OS/c1-32-19-5-3-18(4-6-19)30-9-11-31(12-10-30)24-27-21-8-13-33-22(21)23(28-24)26-17-2-7-20-16(14-17)15-25-29-20/h2-8,13-15H,9-12H2,1H3,(H,25,29)(H,26,27,28)
InChIKeyUKJITNXLJTWKSO-UHFFFAOYSA-N
XLogP4.65
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine (CID 59130324) is N-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine is COc1ccc(N2CCN(c3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)CC2)cc1.
What is the InChIKey of N-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is UKJITNXLJTWKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7OS/c1-32-19-5-3-18(4-6-19)30-9-11-31(12-10-30)24-27-21-8-13-33-22(21)23(28-24)26-17-2-7-20-16(14-17)15-25-29-20/h2-8,13-15H,9-12H2,1H3,(H,25,29)(H,26,27,28).
What are the key properties of N-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine?
N-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 457.56 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 59130324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).