N-(5-fluoro-2-pyridinyl)-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-amine

C31H24FN5O2 — CID 134308091

IUPACN-(5-fluoro-2-pyridinyl)-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(-c2c(Nc3ccc(F)cn3)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1
InChIInChI=1S/C31H24FN5O2/c1-38-24-16-13-21(14-17-24)27-29(34-25-18-15-23(32)19-33-25)35-30-26(20-9-5-3-6-10-20)28(22-11-7-4-8-12-22)36-37(30)31(27)39-2/h3-19H,1-2H3,(H,33,34,35)
InChIKeyPXJXMCADKCEVLO-UHFFFAOYSA-N
MW517.56 g/mol
LogP7.03
Rot. Bonds7

About N-(5-fluoro-2-pyridinyl)-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-amine

N-(5-fluoro-2-pyridinyl)-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 134308091) has the molecular formula C31H24FN5O2 and a molecular weight of 517.56 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID134308091
Molecular FormulaC31H24FN5O2
Molecular Weight517.56 g/mol
Exact Mass517.19
IUPAC NameN-(5-fluoro-2-pyridinyl)-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(-c2c(Nc3ccc(F)cn3)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1
InChIInChI=1S/C31H24FN5O2/c1-38-24-16-13-21(14-17-24)27-29(34-25-18-15-23(32)19-33-25)35-30-26(20-9-5-3-6-10-20)28(22-11-7-4-8-12-22)36-37(30)31(27)39-2/h3-19H,1-2H3,(H,33,34,35)
InChIKeyPXJXMCADKCEVLO-UHFFFAOYSA-N
XLogP7.03
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.56
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-amine (CID 134308091) is N-(5-fluoro-2-pyridinyl)-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-amine is COc1ccc(-c2c(Nc3ccc(F)cn3)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is PXJXMCADKCEVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24FN5O2/c1-38-24-16-13-21(14-17-24)27-29(34-25-18-15-23(32)19-33-25)35-30-26(20-9-5-3-6-10-20)28(22-11-7-4-8-12-22)36-37(30)31(27)39-2/h3-19H,1-2H3,(H,33,34,35).
What are the key properties of N-(5-fluoro-2-pyridinyl)-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-amine?
N-(5-fluoro-2-pyridinyl)-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 517.56 g/mol, XLogP of 7.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 134308091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).