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

C19H18FN7O — CID 127028681

IUPACN-(7-fluoro-1-methylindazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(Nc2nc(-c3cn[nH]c3)nc3c2COC3(C)C)c2cccc(F)c21
InChIInChI=1S/C19H18FN7O/c1-19(2)15-12(9-28-19)17(24-16(23-15)10-7-21-22-8-10)25-18-11-5-4-6-13(20)14(11)27(3)26-18/h4-8H,9H2,1-3H3,(H,21,22)(H,23,24,25,26)
InChIKeyFUHKGVKQAGCDHW-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.40
Rot. Bonds3

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

N-(7-fluoro-1-methylindazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine (PubChem CID 127028681) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is N-(7-fluoro-1-methylindazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(7-fluoro-1-methylindazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
PubChem CID127028681
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC NameN-(7-fluoro-1-methylindazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(Nc2nc(-c3cn[nH]c3)nc3c2COC3(C)C)c2cccc(F)c21
InChIInChI=1S/C19H18FN7O/c1-19(2)15-12(9-28-19)17(24-16(23-15)10-7-21-22-8-10)25-18-11-5-4-6-13(20)14(11)27(3)26-18/h4-8H,9H2,1-3H3,(H,21,22)(H,23,24,25,26)
InChIKeyFUHKGVKQAGCDHW-UHFFFAOYSA-N
XLogP3.40
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-1-methylindazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(7-fluoro-1-methylindazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine (CID 127028681) is N-(7-fluoro-1-methylindazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(7-fluoro-1-methylindazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(7-fluoro-1-methylindazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine is Cn1nc(Nc2nc(-c3cn[nH]c3)nc3c2COC3(C)C)c2cccc(F)c21.
What is the InChIKey of N-(7-fluoro-1-methylindazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The InChIKey is FUHKGVKQAGCDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O/c1-19(2)15-12(9-28-19)17(24-16(23-15)10-7-21-22-8-10)25-18-11-5-4-6-13(20)14(11)27(3)26-18/h4-8H,9H2,1-3H3,(H,21,22)(H,23,24,25,26).
What are the key properties of N-(7-fluoro-1-methylindazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
N-(7-fluoro-1-methylindazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine has a molecular weight of 379.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-1-methylindazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 127028681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).