1-(2-phenylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine

C24H17N9 — CID 67002476

IUPAC1-(2-phenylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
SMILESc1ccc(-c2ccccc2-n2ncc3cnc(Nc4ccc(-c5nn[nH]n5)cc4)nc32)cc1
InChIInChI=1S/C24H17N9/c1-2-6-16(7-3-1)20-8-4-5-9-21(20)33-23-18(15-26-33)14-25-24(28-23)27-19-12-10-17(11-13-19)22-29-31-32-30-22/h1-15H,(H,25,27,28)(H,29,30,31,32)
InChIKeyXQEMZJJTVBNDOF-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.41
Rot. Bonds5

About 1-(2-phenylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine

1-(2-phenylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 67002476) has the molecular formula C24H17N9 and a molecular weight of 431.46 g/mol. Its IUPAC name is 1-(2-phenylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-(2-phenylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID67002476
Molecular FormulaC24H17N9
Molecular Weight431.46 g/mol
Exact Mass431.16
IUPAC Name1-(2-phenylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
SMILESc1ccc(-c2ccccc2-n2ncc3cnc(Nc4ccc(-c5nn[nH]n5)cc4)nc32)cc1
InChIInChI=1S/C24H17N9/c1-2-6-16(7-3-1)20-8-4-5-9-21(20)33-23-18(15-26-33)14-25-24(28-23)27-19-12-10-17(11-13-19)22-29-31-32-30-22/h1-15H,(H,25,27,28)(H,29,30,31,32)
InChIKeyXQEMZJJTVBNDOF-UHFFFAOYSA-N
XLogP4.41
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-(2-phenylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine (CID 67002476) is 1-(2-phenylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-(2-phenylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-(2-phenylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine is c1ccc(-c2ccccc2-n2ncc3cnc(Nc4ccc(-c5nn[nH]n5)cc4)nc32)cc1.
What is the InChIKey of 1-(2-phenylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is XQEMZJJTVBNDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N9/c1-2-6-16(7-3-1)20-8-4-5-9-21(20)33-23-18(15-26-33)14-25-24(28-23)27-19-12-10-17(11-13-19)22-29-31-32-30-22/h1-15H,(H,25,27,28)(H,29,30,31,32).
What are the key properties of 1-(2-phenylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine?
1-(2-phenylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 431.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 67002476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).