N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine

C21H19F2N5 — CID 11509910

IUPACN,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(Nc3ccc(F)cc3)nc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C21H19F2N5/c1-3-4-17-18-19(28(2)27-17)21(24-16-11-9-15(23)10-12-16)26-20(25-18)13-5-7-14(22)8-6-13/h5-12H,3-4H2,1-2H3,(H,24,25,26)
InChIKeyFYRFHCZRVNXPAS-UHFFFAOYSA-N
MW379.41 g/mol
LogP5.00
Rot. Bonds5

About N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine

N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 11509910) has the molecular formula C21H19F2N5 and a molecular weight of 379.41 g/mol. Its IUPAC name is N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID11509910
Molecular FormulaC21H19F2N5
Molecular Weight379.41 g/mol
Exact Mass379.16
IUPAC NameN,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(Nc3ccc(F)cc3)nc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C21H19F2N5/c1-3-4-17-18-19(28(2)27-17)21(24-16-11-9-15(23)10-12-16)26-20(25-18)13-5-7-14(22)8-6-13/h5-12H,3-4H2,1-2H3,(H,24,25,26)
InChIKeyFYRFHCZRVNXPAS-UHFFFAOYSA-N
XLogP5.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.41
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine (CID 11509910) is N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine is CCCc1nn(C)c2c(Nc3ccc(F)cc3)nc(-c3ccc(F)cc3)nc12.
What is the InChIKey of N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is FYRFHCZRVNXPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5/c1-3-4-17-18-19(28(2)27-17)21(24-16-11-9-15(23)10-12-16)26-20(25-18)13-5-7-14(22)8-6-13/h5-12H,3-4H2,1-2H3,(H,24,25,26).
What are the key properties of N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 379.41 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 11509910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).