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

C18H15F2N7O — CID 127026385

IUPACN-(5,7-difluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
SMILESCC1(C)OCc2c(Nc3n[nH]c4c(F)cc(F)cc34)nc(-c3cn[nH]c3)nc21
InChIInChI=1S/C18H15F2N7O/c1-18(2)14-11(7-28-18)16(24-15(23-14)8-5-21-22-6-8)25-17-10-3-9(19)4-12(20)13(10)26-27-17/h3-6H,7H2,1-2H3,(H,21,22)(H2,23,24,25,26,27)
InChIKeyCPSNDIISTKABIL-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.53
Rot. Bonds3

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

N-(5,7-difluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine (PubChem CID 127026385) has the molecular formula C18H15F2N7O and a molecular weight of 383.36 g/mol. Its IUPAC name is N-(5,7-difluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5,7-difluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
PubChem CID127026385
Molecular FormulaC18H15F2N7O
Molecular Weight383.36 g/mol
Exact Mass383.13
IUPAC NameN-(5,7-difluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
SMILESCC1(C)OCc2c(Nc3n[nH]c4c(F)cc(F)cc34)nc(-c3cn[nH]c3)nc21
InChIInChI=1S/C18H15F2N7O/c1-18(2)14-11(7-28-18)16(24-15(23-14)8-5-21-22-6-8)25-17-10-3-9(19)4-12(20)13(10)26-27-17/h3-6H,7H2,1-2H3,(H,21,22)(H2,23,24,25,26,27)
InChIKeyCPSNDIISTKABIL-UHFFFAOYSA-N
XLogP3.53
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-difluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(5,7-difluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine (CID 127026385) is N-(5,7-difluoro-1H-indazol-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-(5,7-difluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(5,7-difluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine is CC1(C)OCc2c(Nc3n[nH]c4c(F)cc(F)cc34)nc(-c3cn[nH]c3)nc21.
What is the InChIKey of N-(5,7-difluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The InChIKey is CPSNDIISTKABIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N7O/c1-18(2)14-11(7-28-18)16(24-15(23-14)8-5-21-22-6-8)25-17-10-3-9(19)4-12(20)13(10)26-27-17/h3-6H,7H2,1-2H3,(H,21,22)(H2,23,24,25,26,27).
What are the key properties of N-(5,7-difluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
N-(5,7-difluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine has a molecular weight of 383.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-difluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 127026385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).