N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine

C18H16N6OS — CID 127028994

IUPACN-(1H-indazol-3-yl)-7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
SMILESCC1(C)OCc2c(Nc3n[nH]c4ccccc34)nc(-c3cscn3)nc21
InChIInChI=1S/C18H16N6OS/c1-18(2)14-11(7-25-18)15(22-17(20-14)13-8-26-9-19-13)21-16-10-5-3-4-6-12(10)23-24-16/h3-6,8-9H,7H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyNSDAIDHIWWAWPP-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.99
Rot. Bonds3

About N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine

N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine (PubChem CID 127028994) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
PubChem CID127028994
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC NameN-(1H-indazol-3-yl)-7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
SMILESCC1(C)OCc2c(Nc3n[nH]c4ccccc34)nc(-c3cscn3)nc21
InChIInChI=1S/C18H16N6OS/c1-18(2)14-11(7-25-18)15(22-17(20-14)13-8-26-9-19-13)21-16-10-5-3-4-6-12(10)23-24-16/h3-6,8-9H,7H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyNSDAIDHIWWAWPP-UHFFFAOYSA-N
XLogP3.99
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine (CID 127028994) is N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine is CC1(C)OCc2c(Nc3n[nH]c4ccccc34)nc(-c3cscn3)nc21.
What is the InChIKey of N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The InChIKey is NSDAIDHIWWAWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-18(2)14-11(7-25-18)15(22-17(20-14)13-8-26-9-19-13)21-16-10-5-3-4-6-12(10)23-24-16/h3-6,8-9H,7H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine has a molecular weight of 364.43 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 127028994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).