7-cyclopropyl-2-N-[3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidine-2,4-diamine

C27H31N7O2Si — CID 68752734

IUPAC7-cyclopropyl-2-N-[3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidine-2,4-diamine
SMILESC[Si](C)(C)CCOCn1nc(-c2ccncc2)c2ccc(Nc3nc(N)c4occ(C5CC5)c4n3)cc21
InChIInChI=1S/C27H31N7O2Si/c1-37(2,3)13-12-35-16-34-22-14-19(6-7-20(22)23(33-34)18-8-10-29-11-9-18)30-27-31-24-21(17-4-5-17)15-36-25(24)26(28)32-27/h6-11,14-15,17H,4-5,12-13,16H2,1-3H3,(H3,28,30,31,32)
InChIKeyHUUDIOHFCSFJND-UHFFFAOYSA-N
MW513.68 g/mol
LogP6.15
Rot. Bonds9

About 7-cyclopropyl-2-N-[3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidine-2,4-diamine

7-cyclopropyl-2-N-[3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 68752734) has the molecular formula C27H31N7O2Si and a molecular weight of 513.68 g/mol. Its IUPAC name is 7-cyclopropyl-2-N-[3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-cyclopropyl-2-N-[3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidine-2,4-diamine
PubChem CID68752734
Molecular FormulaC27H31N7O2Si
Molecular Weight513.68 g/mol
Exact Mass513.23
IUPAC Name7-cyclopropyl-2-N-[3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidine-2,4-diamine
SMILESC[Si](C)(C)CCOCn1nc(-c2ccncc2)c2ccc(Nc3nc(N)c4occ(C5CC5)c4n3)cc21
InChIInChI=1S/C27H31N7O2Si/c1-37(2,3)13-12-35-16-34-22-14-19(6-7-20(22)23(33-34)18-8-10-29-11-9-18)30-27-31-24-21(17-4-5-17)15-36-25(24)26(28)32-27/h6-11,14-15,17H,4-5,12-13,16H2,1-3H3,(H3,28,30,31,32)
InChIKeyHUUDIOHFCSFJND-UHFFFAOYSA-N
XLogP6.15
TPSA116.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.68
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-N-[3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-cyclopropyl-2-N-[3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidine-2,4-diamine (CID 68752734) is 7-cyclopropyl-2-N-[3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-cyclopropyl-2-N-[3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-cyclopropyl-2-N-[3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidine-2,4-diamine is C[Si](C)(C)CCOCn1nc(-c2ccncc2)c2ccc(Nc3nc(N)c4occ(C5CC5)c4n3)cc21.
What is the InChIKey of 7-cyclopropyl-2-N-[3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is HUUDIOHFCSFJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2Si/c1-37(2,3)13-12-35-16-34-22-14-19(6-7-20(22)23(33-34)18-8-10-29-11-9-18)30-27-31-24-21(17-4-5-17)15-36-25(24)26(28)32-27/h6-11,14-15,17H,4-5,12-13,16H2,1-3H3,(H3,28,30,31,32).
What are the key properties of 7-cyclopropyl-2-N-[3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidine-2,4-diamine?
7-cyclopropyl-2-N-[3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 513.68 g/mol, XLogP of 6.15, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-N-[3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 68752734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).