6-[1-(2-methoxyphenyl)indol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C21H17N5O — CID 76902769

IUPAC6-[1-(2-methoxyphenyl)indol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-n1ccc2cc(-c3cnc4ccnn4c3N)ccc21
InChIInChI=1S/C21H17N5O/c1-27-19-5-3-2-4-18(19)25-11-9-15-12-14(6-7-17(15)25)16-13-23-20-8-10-24-26(20)21(16)22/h2-13H,22H2,1H3
InChIKeyDKMBXZRFBSBTHZ-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.93
Rot. Bonds3

About 6-[1-(2-methoxyphenyl)indol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine

6-[1-(2-methoxyphenyl)indol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 76902769) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-[1-(2-methoxyphenyl)indol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-[1-(2-methoxyphenyl)indol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID76902769
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name6-[1-(2-methoxyphenyl)indol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-n1ccc2cc(-c3cnc4ccnn4c3N)ccc21
InChIInChI=1S/C21H17N5O/c1-27-19-5-3-2-4-18(19)25-11-9-15-12-14(6-7-17(15)25)16-13-23-20-8-10-24-26(20)21(16)22/h2-13H,22H2,1H3
InChIKeyDKMBXZRFBSBTHZ-UHFFFAOYSA-N
XLogP3.93
TPSA70.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-methoxyphenyl)indol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-[1-(2-methoxyphenyl)indol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 76902769) is 6-[1-(2-methoxyphenyl)indol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-[1-(2-methoxyphenyl)indol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-[1-(2-methoxyphenyl)indol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccccc1-n1ccc2cc(-c3cnc4ccnn4c3N)ccc21.
What is the InChIKey of 6-[1-(2-methoxyphenyl)indol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DKMBXZRFBSBTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-27-19-5-3-2-4-18(19)25-11-9-15-12-14(6-7-17(15)25)16-13-23-20-8-10-24-26(20)21(16)22/h2-13H,22H2,1H3.
What are the key properties of 6-[1-(2-methoxyphenyl)indol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
6-[1-(2-methoxyphenyl)indol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 355.40 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-methoxyphenyl)indol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 76902769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).