(7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C20H20N6O2 — CID 1192300

IUPAC(7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2nnnn21
InChIInChI=1S/C20H20N6O2/c1-3-28-16-12-8-7-11-15(16)18-17(13(2)21-20-23-24-25-26(18)20)19(27)22-14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3,(H,22,27)(H,21,23,25)/t18-/m0/s1
InChIKeyQDIMORMZKZBTJF-SFHVURJKSA-N
MW376.42 g/mol
LogP3.00
Rot. Bonds5

About (7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

(7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 1192300) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is (7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID1192300
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name(7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2nnnn21
InChIInChI=1S/C20H20N6O2/c1-3-28-16-12-8-7-11-15(16)18-17(13(2)21-20-23-24-25-26(18)20)19(27)22-14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3,(H,22,27)(H,21,23,25)/t18-/m0/s1
InChIKeyQDIMORMZKZBTJF-SFHVURJKSA-N
XLogP3.00
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-butoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135827122
(7S)-7-(2-fluorophenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135845439
(7S)-7-(3-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1289989
(7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136828848
(7S)-7-(5-bromo-2-propoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136761516
7-(5-bromo-2-ethoxyphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135662614
tert-butyl (7S)-7-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136776692
(7R)-7-(4-butoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135849038
[2-ethoxy-4-[5-methyl-6-(phenylcarbamoyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]phenyl] benzoate
CID 3707051
(7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 993210
(7S)-7-(2,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135737236
7-(2-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5062310

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 1192300) is (7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2nnnn21.
What is the InChIKey of (7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is QDIMORMZKZBTJF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-3-28-16-12-8-7-11-15(16)18-17(13(2)21-20-23-24-25-26(18)20)19(27)22-14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3,(H,22,27)(H,21,23,25)/t18-/m0/s1.
What are the key properties of (7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
(7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 1192300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).