4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide

C22H22N8O — CID 155925851

IUPAC4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)C(C)(C)n2nnnc2N1C
InChIInChI=1S/C22H22N8O/c1-13-18(22(2,3)30-21(29(13)4)26-27-28-30)20(31)23-15-10-11-17-16(12-15)19(25-24-17)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,23,31)(H,24,25)
InChIKeyKHSAHYKLUPESPP-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.31
Rot. Bonds3

About 4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide

4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 155925851) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID155925851
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)C(C)(C)n2nnnc2N1C
InChIInChI=1S/C22H22N8O/c1-13-18(22(2,3)30-21(29(13)4)26-27-28-30)20(31)23-15-10-11-17-16(12-15)19(25-24-17)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,23,31)(H,24,25)
InChIKeyKHSAHYKLUPESPP-UHFFFAOYSA-N
XLogP3.31
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 155925851) is 4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)C(C)(C)n2nnnc2N1C.
What is the InChIKey of 4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is KHSAHYKLUPESPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-13-18(22(2,3)30-21(29(13)4)26-27-28-30)20(31)23-15-10-11-17-16(12-15)19(25-24-17)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,23,31)(H,24,25).
What are the key properties of 4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide?
4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 155925851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).