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

C25H24N6OS — CID 59130339

IUPACN-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1cccc(C2CCN(c3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)CC2)c1
InChIInChI=1S/C25H24N6OS/c1-32-20-4-2-3-17(14-20)16-7-10-31(11-8-16)25-28-22-9-12-33-23(22)24(29-25)27-19-5-6-21-18(13-19)15-26-30-21/h2-6,9,12-16H,7-8,10-11H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyTVLZZTTUWIBDEI-UHFFFAOYSA-N
MW456.58 g/mol
LogP5.70
Rot. Bonds5

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

N-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 59130339) has the molecular formula C25H24N6OS and a molecular weight of 456.58 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID59130339
Molecular FormulaC25H24N6OS
Molecular Weight456.58 g/mol
Exact Mass456.17
IUPAC NameN-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1cccc(C2CCN(c3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)CC2)c1
InChIInChI=1S/C25H24N6OS/c1-32-20-4-2-3-17(14-20)16-7-10-31(11-8-16)25-28-22-9-12-33-23(22)24(29-25)27-19-5-6-21-18(13-19)15-26-30-21/h2-6,9,12-16H,7-8,10-11H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyTVLZZTTUWIBDEI-UHFFFAOYSA-N
XLogP5.70
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.58
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-4-amine (CID 59130339) is N-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-4-amine is COc1cccc(C2CCN(c3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)CC2)c1.
What is the InChIKey of N-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is TVLZZTTUWIBDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6OS/c1-32-20-4-2-3-17(14-20)16-7-10-31(11-8-16)25-28-22-9-12-33-23(22)24(29-25)27-19-5-6-21-18(13-19)15-26-30-21/h2-6,9,12-16H,7-8,10-11H2,1H3,(H,26,30)(H,27,28,29).
What are the key properties of N-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-4-amine?
N-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 456.58 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 59130339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).